data_2stt_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2stt _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.445 HG12 ' H ' ' A' ' 26' ' ' GLN . 14.5 tt . . . . . 0 N--CA 1.488 1.475 0 CA-C-O 121.697 0.76 . . . . 3.17 110.303 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -77.07 138.79 39.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.451 -0.781 . . . . 1.99 109.789 -179.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.558 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 3.1 tm? -51.36 -63.69 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.494 -0.753 . . . . 2.17 111.397 -177.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.587 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 59.8 p-90 -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.413 -1.429 . . . . 1.28 109.391 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.425 ' H ' ' HG3' ' A' ' 26' ' ' GLN . 62.4 tt0 -68.97 -37.88 79.04 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 118.863 -1.135 . . . . 2.89 108.445 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.15 -49.12 73.39 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.329 -0.619 . . . . 0.95 109.329 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.43 -46.61 85.54 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.068 -1.086 . . . . 2.08 108.068 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.79 -40.17 91.63 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.003 -0.739 . . . . 2.46 109.003 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.38 -48.75 79.85 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.249 -0.981 . . . . 2.46 108.96 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.53 -30.05 66.7 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.076 -1.015 . . . . 2.1 108.945 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 10.7 tp -49.94 -46.72 52.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.704 -1.248 . . . . 1.97 110.371 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 p -81.92 56.95 3.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.783 -1.198 . . . . 2.13 107.88 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 42.6 t0 -102.52 132.11 48.79 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 121.889 0.852 . . . . 3.08 109.473 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 9.5 mmpt? -68.5 -40.28 80.93 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.46 0.648 . . . . 3.68 110.138 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -76.99 -10.77 59.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.503 -0.748 . . . . 2.78 111.047 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 44' ' ' ILE . 0.3 OUTLIER -51.77 -28.51 15.54 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.733 -1.187 . . . . 2.54 109.45 -179.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.13 -34.47 76.41 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.472 -1.392 . . . . 3.73 110.189 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.516 ' OG ' ' CD1' ' A' ' 43' ' ' PHE . 88.8 p -82.92 -15.52 51.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.7 -1.25 . . . . 2.79 111.014 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CD1' ' OG ' ' A' ' 42' ' ' SER . 97.0 m-85 -119.12 -7.97 10.24 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.499 -0.75 . . . . 1.84 110.05 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' A' ' 40' ' ' CYS . 11.2 tt -162.31 -177.31 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 1.68 109.605 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.508 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 75.0 m -113.26 115.21 27.82 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.067 -1.021 . . . . 2.19 110.956 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.491 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -117.45 98.53 6.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.113 -1.44 . . . . 1.46 107.113 178.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -68.32 142.5 55.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.585 -1.322 . . . . 2.47 110.273 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.43 50.17 1.64 Allowed Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.886 -1.286 . . . . 2.13 109.886 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -115.92 -112.16 0.34 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.41 -1.053 . . . . 3.56 108.946 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.8 -102.78 0.56 Allowed Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.855 -1.698 . . . . 1.46 108.855 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -144.22 82.18 1.7 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.047 -1.266 . . . . 1.22 109.858 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -131.91 131.44 42.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.459 -0.941 . . . . 2.5 108.459 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -122.16 118.52 28.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.599 -0.688 . . . . 0.89 109.755 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -110.87 135.5 51.33 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.438 -0.789 . . . . 2.82 109.835 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' CD2' ' OH ' ' A' ' 76' ' ' TYR . 11.2 mp -94.36 100.26 12.32 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.645 -0.66 . . . . 1.9 110.301 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 84.1 p -80.02 -63.04 1.5 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.14 -0.975 . . . . 1.97 109.561 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' OG ' ' A' ' 56' ' ' SER . 82.0 m-20 -140.07 80.28 20.65 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.124 -0.985 . . . . 2.54 110.484 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -73.93 57.63 3.91 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.229 1.286 . . . . 1.09 108.9 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.95 -41.18 71.45 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.107 -0.995 . . . . 2.89 109.625 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 43' ' ' PHE . 84.8 mt-10 -88.3 -32.22 18.58 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.977 -0.749 . . . . 3.15 108.977 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.64 -43.25 96.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.162 -0.961 . . . . 1.35 108.983 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.75 75.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.046 -1.034 . . . . 1.4 109.858 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.681 HH12 ' NZ ' ' A' ' 73' ' ' LYS . 8.3 mtt-85 -60.18 -44.9 94.68 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.404 -0.919 . . . . 4.21 108.693 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -63.82 -39.04 93.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.793 -0.817 . . . . 4.01 108.793 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' NZ ' ' A' ' 69' ' ' LYS . 24.2 t-105 -58.52 -41.77 86.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.923 -1.111 . . . . 1.23 108.589 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.85 -17.88 64.63 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.446 -1.062 . . . . 1.11 110.446 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -66.42 -44.84 81.8 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.176 -1.191 . . . . 3.18 109.527 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -61.97 -22.03 65.31 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.446 -0.784 . . . . 4.48 108.958 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -91.98 6.21 47.2 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.391 -0.818 . . . . 3.03 109.486 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 56.69 59.01 3.75 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 3.8 110.597 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -132.11 145.9 59.35 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 107.522 -1.288 . . . . 2.86 107.522 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -60.04 -65.14 0.08 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 121.278 1.319 . . . . 3.55 110.127 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.681 ' NZ ' HH12 ' A' ' 63' ' ' ARG . 55.1 tttp -132.54 132.19 42.34 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.341 -0.985 . . . . 5.62 108.341 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.0 tpp -115.13 128.73 56.39 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.917 0.865 . . . . 2.66 109.86 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.679 HD21 ' H ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -67.45 143.41 56.25 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.785 0.802 . . . . 1.68 109.825 179.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.529 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 68.7 t80 -66.61 -23.79 66.23 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.842 -0.799 . . . . 1.51 108.842 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -58.95 -28.08 65.94 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 107.228 -1.397 . . . . 2.53 107.228 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 12.2 tmtt? -56.79 -39.89 74.94 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.934 -1.136 . . . . 4.61 107.934 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 83' ' ' LEU . 2.9 mm? -66.38 -47.34 73.69 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 107.996 -1.113 . . . . 1.76 107.996 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.3 m -60.08 -44.06 95.04 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.251 -1.38 . . . . 1.86 108.773 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -68.23 -43.0 78.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.919 -1.113 . . . . 5.47 111.275 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.53 -47.99 4.4 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.092 -1.052 . . . . 0.85 110.987 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -60.83 -47.03 88.2 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.42 -1.047 . . . . 2.17 109.562 -178.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -54.0 -49.07 69.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.324 -1.485 . . . . 2.92 108.158 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.416 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 73.6 t80 -62.6 -5.61 2.79 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.144 -0.972 . . . . 1.64 109.843 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 88' ' ' ASP . 11.7 t80 -72.59 3.15 5.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.89 -1.131 . . . . 1.27 111.343 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.62 59.23 0.2 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.663 -1.273 . . . . 2.28 107.614 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' TYR . 65.0 m-20 -80.71 -47.68 13.65 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 2.74 110.532 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -126.05 -93.43 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.813 0.816 . . . . 3.0 109.671 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.418 ' ND2' ' NE2' ' A' ' 93' ' ' HIS . 0.4 OUTLIER -160.51 92.98 0.99 Allowed 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.807 -1.183 . . . . 3.23 107.807 -179.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.538 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -144.92 -91.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.466 -0.771 . . . . 1.93 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.538 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 12.6 tt -93.95 120.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.389 -1.444 . . . . 1.67 110.219 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.418 ' NE2' ' ND2' ' A' ' 90' ' ' ASN . 25.1 m170 -105.3 150.08 25.48 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.481 -0.933 . . . . 2.31 108.481 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -89.54 140.08 29.89 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.754 -1.216 . . . . 3.29 109.714 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 97' ' ' GLY . 35.3 m -88.6 132.44 34.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.0 -1.063 . . . . 1.62 110.246 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.64 19.8 0.36 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.905 . . . . 2.87 109.834 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -77.54 -92.29 0.27 Allowed Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.909 -1.676 . . . . 2.32 108.909 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.484 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 32.8 mmtp -103.93 -175.14 2.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.387 -1.067 . . . . 3.99 108.801 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.606 ' CG ' HH11 ' A' ' 99' ' ' ARG . 4.2 mtt-85 -85.45 -13.29 49.67 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.709 -1.245 . . . . 6.26 109.399 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -108.5 9.92 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.932 -1.105 . . . . 1.66 111.171 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.484 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -91.56 121.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.326 -1.484 . . . . 1.63 111.141 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.529 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 9.2 m-85 -114.07 148.42 37.11 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.009 -1.108 . . . . 1.6 108.009 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -151.11 157.1 42.32 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.087 -1.008 . . . . 3.34 109.573 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -124.69 158.92 32.02 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.587 -0.894 . . . . 1.21 108.587 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 118.061 -0.971 . . . . 2.56 109.458 -179.498 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.436 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 3.17 108.395 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.99 108.712 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.543 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 2.17 111.297 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.28 112.011 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.89 108.256 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.95 108.747 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 2.08 110.492 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 2.46 109.621 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 2.1 109.377 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' CZ2' ' A' ' 46' ' ' TRP . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.97 110.587 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 2.13 112.057 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.494 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.68 110.149 -179.359 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.78 111.326 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.494 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.54 110.158 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.73 111.081 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.79 111.51 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.84 109.747 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.491 ' CG1' ' N ' ' A' ' 45' ' ' SER . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.68 108.019 -178.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 2.19 110.058 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.47 109.705 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 2.13 109.273 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.46 107.908 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.22 109.701 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.89 108.999 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.82 110.392 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.9 108.949 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.97 109.957 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 1.35 108.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 1.4 108.887 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 4.21 108.871 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 4.01 110.563 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.23 110.981 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.11 110.866 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 3.18 108.15 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 4.48 109.578 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 3.03 108.904 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.8 110.353 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.86 108.785 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 3.55 109.728 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.62 109.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.66 109.491 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.68 110.612 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.51 108.55 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.61 108.965 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.76 108.572 178.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.86 109.117 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 5.47 110.627 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.85 111.163 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 2.17 109.557 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.92 108.845 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.64 109.962 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 2.28 107.49 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 3.0 109.052 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 3.23 109.113 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.575 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.93 111.335 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.575 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.67 109.372 -178.466 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 2.31 109.951 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 3.29 109.913 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.62 108.762 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.87 110.938 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.513 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.99 108.855 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 6.26 110.903 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.66 111.004 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.513 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.63 111.704 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.6 108.629 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 3.34 109.782 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.21 109.809 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 2.56 109.771 -178.687 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.204 -0.665 . . . . 3.17 109.204 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.99 109.276 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.598 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 2.17 111.851 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.28 109.752 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.89 107.955 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.95 109.015 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 2.08 108.133 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 2.46 108.608 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 2.1 110.297 -179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.97 110.779 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 2.13 110.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.68 109.825 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.78 107.662 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.54 109.567 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.73 111.092 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.541 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.79 111.856 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.84 110.064 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.488 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.68 109.021 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.488 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 2.19 108.161 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.534 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.47 108.664 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 2.13 110.204 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.46 110.423 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.22 109.365 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.534 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.89 108.973 -178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.82 110.813 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.9 110.562 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.97 109.533 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 1.35 109.186 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 1.4 109.628 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 4.21 108.768 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 4.01 110.912 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HE1' ' HZ1' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.23 109.062 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.11 110.152 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 3.18 110.309 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 4.48 109.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 3.03 109.329 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.8 109.834 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.86 108.91 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 3.55 111.3 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.62 109.5 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.66 108.495 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.68 111.022 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.51 108.772 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.691 ' HZ1' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.61 108.631 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.76 108.506 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.86 109.168 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.678 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 5.47 110.197 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.85 111.108 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' ' 79' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 2.17 108.49 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.678 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.92 109.873 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.64 108.705 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 2.28 109.312 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 3.0 107.965 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 3.23 107.759 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.93 109.023 -178.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.509 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.67 110.277 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 2.31 109.562 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 3.29 110.316 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.556 ' HG1' ' HE ' ' A' ' 103' ' ' ARG . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.62 109.242 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.87 110.617 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.99 109.18 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 6.26 109.177 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.66 111.123 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.416 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.63 110.352 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.6 109.748 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.556 ' HE ' ' HG1' ' A' ' 95' ' ' THR . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 3.34 108.091 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.21 108.902 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 2.56 109.869 -178.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 121.253 0.549 . . . . 3.17 109.568 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.554 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 5.9 tm0? -88.51 149.91 23.38 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.594 -1.262 . . . . 1.99 107.594 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.533 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 7.3 tt -58.97 -56.06 27.07 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 2.17 111.949 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.554 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 58.6 p-90 -73.22 -35.75 66.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.251 -1.53 . . . . 1.28 111.272 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -53.81 -44.0 69.81 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 119.988 -1.695 . . . . 2.89 107.762 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.08 -42.67 98.94 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.837 -0.801 . . . . 0.95 108.837 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -50.24 73.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.117 -0.989 . . . . 2.08 109.386 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.55 -43.93 96.69 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.981 -1.074 . . . . 2.46 110.093 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -60.84 -49.36 77.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.758 -1.214 . . . . 2.46 108.44 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.7 -39.72 91.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.288 -0.882 . . . . 2.1 109.913 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 9.2 tt -57.46 -39.61 76.69 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.216 -0.927 . . . . 1.97 109.444 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -113.44 70.44 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.508 -0.745 . . . . 2.13 109.791 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD1' ' SG ' ' A' ' 40' ' ' CYS . 23.2 p-10 -115.31 -135.46 0.35 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.561 -0.712 . . . . 3.08 109.712 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -59.55 -143.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.935 -1.103 . . . . 3.68 111.042 -178.596 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 41' ' ' GLN . 23.0 t -63.43 -39.51 94.68 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.145 -0.972 . . . . 2.78 110.057 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.498 ' SG ' ' OD1' ' A' ' 37' ' ' ASP . 1.8 m 70.43 -19.05 0.22 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.011 -1.056 . . . . 2.54 109.293 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.56 ' H ' ' C ' ' A' ' 39' ' ' SER . 38.6 mm-40 -63.48 -33.04 74.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.47 -0.769 . . . . 3.73 111.044 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.9 m -79.22 -19.31 51.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.95 -1.094 . . . . 2.79 111.257 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.14 -12.92 8.62 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.022 -1.049 . . . . 1.84 110.514 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.546 ' CG1' ' H ' ' A' ' 45' ' ' SER . 9.1 tt -163.2 -175.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.033 -1.042 . . . . 1.68 109.368 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.546 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 12.0 t -120.19 124.11 44.91 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.71 -1.244 . . . . 2.19 110.701 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.73 106.16 13.55 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.631 -1.618 . . . . 1.46 106.631 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 52' ' ' GLU . 49.0 p -66.98 156.84 34.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.902 -1.124 . . . . 2.47 110.193 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.38 60.77 1.54 Allowed Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.373 -1.491 . . . . 2.13 109.373 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.585 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 31.5 t70 -122.43 -153.48 0.55 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.215 -1.032 . . . . 3.56 108.215 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.585 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -77.98 -61.89 2.45 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 108.623 -1.791 . . . . 1.46 108.623 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -150.66 69.99 1.0 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -1.189 . . . . 1.22 108.18 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' O ' ' OG1' ' A' ' 47' ' ' THR . 95.4 mt-10 -119.42 98.94 6.38 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.456 -1.313 . . . . 2.5 107.456 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' TYR . 58.4 t80 -109.77 133.06 53.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.321 -0.862 . . . . 0.89 110.669 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -133.94 142.05 47.55 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 122.332 1.063 . . . . 2.82 109.989 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 8.1 mp -90.58 100.26 13.14 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.886 -0.597 . . . . 1.9 110.564 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 31.0 t -79.47 -62.56 1.65 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.955 . . . . 1.97 110.492 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 56' ' ' SER . 87.7 m-20 -137.66 77.67 38.87 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 121.226 -0.921 . . . . 2.54 111.399 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.51 58.31 4.49 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 N-CA-C 109.206 -1.113 . . . . 1.09 109.206 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.92 -41.58 61.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.886 -1.134 . . . . 2.89 109.708 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -80.06 -34.21 38.37 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.5 -0.926 . . . . 3.15 108.5 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.63 -42.95 87.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.485 -0.759 . . . . 1.35 109.991 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.32 91.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.956 -1.09 . . . . 1.4 109.082 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.669 ' NH1' ' HZ3' ' A' ' 73' ' ' LYS . 9.1 ttm-85 -61.2 -47.08 87.78 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.609 -0.886 . . . . 4.21 108.609 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -66.87 -41.43 87.27 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.27 -0.894 . . . . 4.01 110.664 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.538 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 10.8 t-105 -62.17 -46.2 90.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.122 -0.986 . . . . 1.23 110.013 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.79 -49.7 47.15 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 120.102 -1.047 . . . . 1.11 110.748 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -66.69 -7.35 20.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.944 -1.327 . . . . 3.18 110.117 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -58.11 -38.89 77.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.886 -1.133 . . . . 4.48 109.337 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -102.94 30.51 4.74 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.406 -0.809 . . . . 3.03 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 55.98 57.3 5.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.199 -0.938 . . . . 3.8 110.018 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 72' ' ' PRO . 61.0 mttm -129.16 154.13 80.47 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.415 -0.803 . . . . 2.86 109.728 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 71' ' ' LYS . 3.0 Cg_exo -52.84 -159.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 121.61 1.54 . . . . 3.55 110.566 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.669 ' HZ3' ' NH1' ' A' ' 63' ' ' ARG . 25.8 mtpp -88.41 123.6 33.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.887 -1.133 . . . . 5.62 109.829 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 19.6 mmt -111.58 137.36 49.53 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.432 -0.793 . . . . 2.66 109.85 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.51 173.0 7.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.601 -0.687 . . . . 1.68 110.015 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.519 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 62.4 t80 -69.83 -15.74 63.15 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.35 -0.844 . . . . 1.51 109.882 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -56.53 -32.87 65.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -0.915 . . . . 2.53 108.638 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.538 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 11.6 tmtt? -55.98 -42.69 76.7 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.562 -0.711 . . . . 4.61 109.552 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.9 mt -68.0 -41.35 82.4 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.451 -0.781 . . . . 1.76 109.933 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.5 p -60.85 -46.71 89.5 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.689 -1.257 . . . . 1.86 109.34 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -77.68 -42.31 35.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.326 -0.859 . . . . 5.47 109.756 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.4 -48.71 22.98 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 120.18 -1.009 . . . . 0.85 111.593 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.62 -30.78 70.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.66 -1.494 . . . . 2.17 110.7 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -53.16 -37.06 61.53 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.878 -1.139 . . . . 2.92 109.434 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 36.6 t80 -73.47 -14.79 61.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.047 -1.033 . . . . 1.64 109.723 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.402 ' C ' ' H ' ' A' ' 88' ' ' ASP . 4.5 t80 -70.98 6.94 1.32 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.104 -0.998 . . . . 1.27 111.625 -177.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.521 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 8.8 m-85 -77.14 15.8 0.66 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.681 -1.262 . . . . 2.28 109.639 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 86' ' ' TYR . 61.4 t0 -73.06 -36.66 66.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.84 -1.163 . . . . 2.74 108.865 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -109.24 136.52 48.57 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.825 -1.176 . . . . 3.0 107.825 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -78.04 91.41 4.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.701 -1.249 . . . . 3.23 109.123 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -136.19 -46.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 115.766 -0.652 . . . . 1.93 109.344 -179.191 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.467 ' CD1' ' CZ ' ' A' ' 104' ' ' PHE . 4.6 tt -137.26 136.16 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.159 -0.963 . . . . 1.67 110.004 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -134.13 149.43 51.07 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.959 -0.756 . . . . 2.31 108.959 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.521 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 67.0 mttm -81.27 144.82 31.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.135 -0.978 . . . . 3.29 110.635 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 97' ' ' GLY . 94.1 m -91.47 127.95 37.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.648 -0.658 . . . . 1.62 109.648 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.96 26.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.355 -0.841 . . . . 2.87 110.362 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -80.52 -69.02 1.42 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.092 -1.203 . . . . 2.32 110.092 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.44 ' CG ' ' H ' ' A' ' 99' ' ' ARG . 18.3 tptm -113.32 -133.79 0.34 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.291 -1.003 . . . . 3.99 108.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.44 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 88.2 mtm180 -121.1 -32.92 3.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.297 -0.877 . . . . 6.26 109.588 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -107.13 26.41 10.19 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.319 -0.863 . . . . 1.66 109.805 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.6 m -91.21 124.01 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 120.735 -1.228 . . . . 1.63 109.906 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.519 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 14.6 m-85 -118.15 145.41 44.93 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.756 -0.831 . . . . 1.6 108.756 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -146.92 159.31 43.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 3.34 109.387 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.467 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 23.0 m-85 -130.01 162.92 27.62 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.581 0.705 . . . . 1.21 109.851 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.934 -1.031 . . . . 2.56 109.838 -179.396 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.3 pt . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.463 0.649 . . . . 3.17 109.686 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.576 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 4.8 tm0? -83.12 153.15 24.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.381 -0.825 . . . . 1.99 109.026 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.576 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 2.4 tm? -60.51 -58.34 8.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 2.17 110.821 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.538 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 50.9 p-90 -75.16 -38.09 61.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.015 -1.053 . . . . 1.28 112.021 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 18.8 tt0 -51.63 -40.13 59.35 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.323 -1.486 . . . . 2.89 107.505 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -62.25 -46.58 88.18 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.79 -0.764 . . . . 0.95 109.729 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -39.59 88.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 2.08 108.346 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -49.77 76.29 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.84 -1.163 . . . . 2.46 110.789 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.94 -36.32 79.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.296 -1.503 . . . . 2.46 109.286 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -40.69 76.3 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.19 -1.041 . . . . 2.1 108.19 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.6 tp -51.16 -49.78 60.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.193 -0.942 . . . . 1.97 111.304 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.2 p -87.74 56.58 3.96 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.539 -1.35 . . . . 2.13 111.174 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -112.49 130.25 56.06 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.305 -0.998 . . . . 3.08 108.305 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -28.35 68.58 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.317 -0.864 . . . . 3.68 110.636 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.41 -7.03 47.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 2.78 109.628 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.8 m -58.33 -47.31 84.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.919 -1.113 . . . . 2.54 110.72 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.49 -23.63 10.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.536 -1.353 . . . . 3.73 110.267 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 t -73.29 -43.46 60.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.953 -1.092 . . . . 2.79 111.935 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.72 15.08 15.43 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 120.792 -1.193 . . . . 1.84 111.504 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.543 ' CG1' ' H ' ' A' ' 45' ' ' SER . 15.0 tt -164.46 -174.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.764 -1.21 . . . . 1.68 109.269 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.543 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 47.2 t -127.86 129.18 46.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.27 1.033 . . . . 2.19 110.846 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.428 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -114.43 112.07 22.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 106.981 -1.488 . . . . 1.46 106.981 179.171 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' TRP . 65.8 p -58.11 -158.84 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.007 -1.058 . . . . 2.47 110.629 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -60.46 -135.27 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.264 -0.898 . . . . 2.13 111.047 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -106.12 13.7 28.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -1.014 . . . . 3.56 110.408 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.61 -114.78 0.39 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.497 -1.841 . . . . 1.46 108.497 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -155.34 35.44 0.37 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.059 -1.259 . . . . 1.22 109.025 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -98.29 96.72 8.25 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.473 -1.306 . . . . 2.5 107.473 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 102' ' ' TYR . 49.1 t80 -108.65 129.57 55.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.702 -0.624 . . . . 0.89 109.813 -177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 138.35 53.64 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 121.817 0.818 . . . . 2.82 110.188 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 9.4 mp -90.13 97.05 10.96 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 116.025 -0.534 . . . . 1.9 109.734 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -80.7 -54.1 5.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 1.97 110.18 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.6 m-20 -134.11 77.43 61.51 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.295 -0.878 . . . . 2.54 110.412 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -72.17 38.54 0.37 Allowed 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.16 1.24 . . . . 1.09 109.235 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 57' ' ' ASP . 94.6 m-20 -68.02 -42.98 79.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.012 -1.055 . . . . 2.89 110.543 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -80.41 -35.22 35.46 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.151 -0.968 . . . . 3.15 109.001 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.5 t -67.09 -40.3 85.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.739 -0.601 . . . . 1.35 110.121 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.56 97.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 1.4 109.526 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -61.23 -41.84 97.56 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.211 -0.996 . . . . 4.21 108.521 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -68.46 -39.96 81.23 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.112 -0.992 . . . . 4.01 109.73 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.401 ' HB3' ' HZ3' ' A' ' 78' ' ' LYS . 7.8 t-105 -62.24 -37.55 85.86 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.303 -0.999 . . . . 1.23 108.303 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.28 -32.53 80.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.161 -1.576 . . . . 1.11 109.161 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.75 -22.21 64.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.324 -1.104 . . . . 3.18 110.023 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -57.78 -43.69 85.73 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.355 -0.84 . . . . 4.48 109.535 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -98.55 23.49 8.52 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.685 -0.634 . . . . 3.03 109.675 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.8 m120 56.91 50.33 12.46 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.566 -0.709 . . . . 3.8 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -120.42 149.47 49.91 Favored Pre-proline 0 N--CA 1.504 2.25 0 N-CA-C 108.456 -0.942 . . . . 2.86 108.456 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.4 -83.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.726 0 N-CA-C 109.125 -1.144 . . . . 3.55 109.125 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -136.02 140.21 43.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.403 -0.81 . . . . 5.62 109.139 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -130.87 151.94 50.74 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.912 -0.773 . . . . 2.66 108.912 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -70.03 162.4 28.23 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.339 -0.851 . . . . 1.68 111.187 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.575 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 88.3 t80 -76.37 -16.58 59.7 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.915 -1.143 . . . . 1.51 107.915 178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' O ' ' OG ' ' A' ' 80' ' ' SER . 41.8 tp10 -58.21 -30.1 66.22 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.752 -0.833 . . . . 2.53 108.752 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 51.8 pttt -59.89 -36.05 76.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 4.61 109.538 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.0 mt -67.57 -36.72 81.46 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.991 -0.684 . . . . 1.76 109.323 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 77' ' ' GLU . 71.6 p -61.21 -36.91 81.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.104 -0.998 . . . . 1.86 109.835 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.541 ' O ' ' NH1' ' A' ' 84' ' ' ARG . 19.4 mmt180 -83.12 -31.14 27.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.957 -1.089 . . . . 5.47 109.689 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.9 -40.92 6.91 Favored Glycine 0 N--CA 1.495 2.633 0 O-C-N 120.85 -1.156 . . . . 0.85 110.881 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -42.81 72.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.822 -1.399 . . . . 2.17 110.902 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -59.97 -36.98 78.3 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.002 -1.686 . . . . 2.92 109.42 -178.715 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -69.82 -11.98 61.28 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.363 -0.836 . . . . 1.64 109.376 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.498 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.9 t80 -75.6 1.13 15.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.849 . . . . 1.27 110.186 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.524 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.7 m-85 -67.22 3.8 1.11 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.961 -1.087 . . . . 2.28 109.122 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 86' ' ' TYR . 79.8 m-20 -68.36 -33.0 73.49 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.99 -1.069 . . . . 2.74 108.368 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -116.61 134.05 55.29 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.071 -1.085 . . . . 3.0 108.071 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 31.5 p-10 -80.23 88.9 5.46 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.053 -1.03 . . . . 3.23 109.102 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -136.63 -48.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.124 -1.436 . . . . 1.93 107.124 179.509 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.467 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 10.4 tt -133.49 128.07 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 1.67 109.489 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -122.77 137.69 54.85 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.717 0.77 . . . . 2.31 109.039 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HZ1' ' CB ' ' A' ' 94' ' ' LYS . 3.5 ttmp? -74.97 140.09 43.41 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.602 -0.888 . . . . 3.29 108.602 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.9 m -88.85 131.67 34.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 1.62 109.636 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.11 33.13 0.49 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.046 -1.034 . . . . 2.87 109.323 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.6 -72.49 1.24 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.679 -1.769 . . . . 2.32 108.679 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -111.62 -119.81 0.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.623 -0.928 . . . . 3.99 108.94 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.53 ' CG ' HH11 ' A' ' 99' ' ' ARG . 0.5 OUTLIER -131.95 -39.52 1.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.266 -0.896 . . . . 6.26 110.688 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -102.65 26.76 7.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.232 -0.918 . . . . 1.66 110.05 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.0 m -90.39 120.53 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 CA-C-O 122.231 1.015 . . . . 1.63 110.679 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.575 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 5.4 m-85 -113.56 135.29 54.06 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.393 -0.966 . . . . 1.6 108.393 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -146.78 158.92 44.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.129 -0.982 . . . . 3.34 108.523 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -118.73 155.03 31.81 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.339 0.59 . . . . 1.21 109.909 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.948 -1.025 . . . . 2.56 109.101 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.527 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 11.6 tt . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 107.855 -1.165 . . . . 3.17 107.855 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.564 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -76.59 140.28 40.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.554 -1.341 . . . . 1.99 108.31 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.3 tt -62.46 -53.62 52.21 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.418 0.896 . . . . 2.17 113.418 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.5 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.7 p-90 -76.54 -34.11 58.53 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.557 -1.34 . . . . 1.28 111.605 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -59.98 -39.23 84.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 2.89 108.266 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -73.19 -50.61 21.55 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.8 . . . . 0.95 109.185 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.07 -42.66 95.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.06 -1.025 . . . . 2.08 109.478 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.07 -43.63 98.43 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.077 -1.015 . . . . 2.46 109.413 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.16 -44.35 95.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.161 -0.962 . . . . 2.46 109.457 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 2.6 tm? -69.31 -42.91 74.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.252 -0.905 . . . . 2.1 110.017 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.21 -33.69 73.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.328 -0.857 . . . . 1.97 110.626 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.0 p -103.33 8.98 38.17 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.868 -1.145 . . . . 2.13 111.939 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -107.61 -73.09 0.7 Allowed 'General case' 0 N--CA 1.508 2.472 0 O-C-N 120.799 -1.188 . . . . 3.08 111.241 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.78 159.73 1.57 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.108 -0.995 . . . . 3.68 109.512 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' A' ' 40' ' ' CYS . 19.2 t -67.25 -132.15 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.076 -1.083 . . . . 2.78 108.076 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.511 ' N ' ' OG ' ' A' ' 39' ' ' SER . 24.5 p -171.42 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.933 -1.105 . . . . 2.54 110.181 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -71.68 63.56 0.43 Allowed 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.33 -0.856 . . . . 3.73 109.613 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' CYS . 45.4 t -163.16 -49.8 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.933 -0.765 . . . . 2.79 108.933 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -126.84 -0.11 6.66 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 1.84 110.321 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.527 ' CG1' ' H ' ' A' ' 45' ' ' SER . 10.3 tt -162.58 -176.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.643 -1.286 . . . . 1.68 110.167 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.527 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 78.6 p -130.98 126.66 36.59 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.771 -1.205 . . . . 2.19 110.553 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.52 110.39 19.18 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.339 -1.356 . . . . 1.46 107.339 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -62.66 152.02 36.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.693 -1.254 . . . . 2.47 109.693 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.04 30.4 9.4 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.988 -1.245 . . . . 2.13 109.988 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -108.01 -108.38 0.32 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.251 -1.147 . . . . 3.56 109.434 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.27 -104.46 0.43 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.92 -1.672 . . . . 1.46 108.92 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -139.2 58.03 1.64 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.464 -1.021 . . . . 1.22 108.854 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -100.55 121.27 41.3 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.261 -1.014 . . . . 2.5 108.261 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -118.27 125.65 50.53 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.588 -0.695 . . . . 0.89 110.497 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -116.85 137.72 52.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.463 -0.773 . . . . 2.82 111.049 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 10.3 mp -97.58 103.2 15.12 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.586 -0.696 . . . . 1.9 110.061 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -78.76 -66.06 0.91 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 1.97 109.836 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -144.22 81.65 11.32 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.552 -0.718 . . . . 2.54 109.798 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.96 55.04 5.13 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 121.371 1.38 . . . . 1.09 109.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.74 -39.37 70.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.194 . . . . 2.89 110.0 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.62 -40.39 61.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.834 -1.166 . . . . 3.15 109.054 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -63.98 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.637 -0.664 . . . . 1.35 110.099 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.86 95.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.967 -1.083 . . . . 1.4 109.554 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.15 -43.94 95.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.969 -1.082 . . . . 4.21 109.514 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -66.76 -39.69 87.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.109 -0.995 . . . . 4.01 109.613 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -59.31 -42.32 91.1 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.274 -0.891 . . . . 1.23 110.149 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.35 -23.17 77.62 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.695 -1.241 . . . . 1.11 110.113 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -66.31 -44.05 84.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -1.199 . . . . 3.18 110.086 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -15.73 58.61 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.141 -0.975 . . . . 4.48 110.037 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -92.75 9.08 36.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.202 -0.936 . . . . 3.03 109.11 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 58.74 35.91 24.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 3.8 109.296 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' PRO . 32.2 mtmm -143.67 155.04 60.12 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.495 -0.753 . . . . 2.86 109.272 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.4 Cg_exo -53.28 -157.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.899 0 C-N-CA 121.811 1.674 . . . . 3.55 110.649 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -87.69 140.88 29.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 5.62 109.378 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.6 mtp -122.89 160.86 25.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.794 -0.817 . . . . 2.66 108.794 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.403 ' ND2' ' OE1' ' A' ' 77' ' ' GLU . 46.9 p30 -64.9 163.96 13.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.909 -1.119 . . . . 1.68 110.074 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.597 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 53.3 t80 -67.06 -12.56 60.27 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.668 -0.645 . . . . 1.51 110.154 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' OE1' ' ND2' ' A' ' 75' ' ' ASN . 94.8 mt-10 -59.26 -36.94 76.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.188 -0.945 . . . . 2.53 110.309 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -57.52 -36.0 70.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.839 -1.163 . . . . 4.61 109.038 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.39 -41.97 79.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.928 . . . . 1.76 109.374 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -69.31 -35.09 75.62 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.99 -1.069 . . . . 1.86 108.594 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -78.04 -43.07 30.38 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.499 -0.75 . . . . 5.47 111.467 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.32 -42.64 8.46 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.761 -1.212 . . . . 0.85 111.156 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.75 -41.36 87.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.038 -1.272 . . . . 2.17 110.495 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -53.74 -33.91 57.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.476 -1.39 . . . . 2.92 109.505 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -77.03 -7.42 55.63 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 1.64 109.757 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.486 ' C ' ' H ' ' A' ' 88' ' ' ASP . 3.1 t80 -72.99 6.35 2.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 1.27 110.161 -177.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.9 m-85 -69.75 8.91 0.59 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.896 -1.127 . . . . 2.28 109.407 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 86' ' ' TYR . 76.7 m-20 -70.36 -39.98 74.3 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.725 -1.213 . . . . 2.74 107.725 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -110.14 133.18 53.48 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.056 -1.09 . . . . 3.0 108.056 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -78.02 89.9 4.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.933 -1.104 . . . . 3.23 108.828 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -138.27 -44.9 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.719 -0.845 . . . . 1.93 108.719 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.442 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 5.8 tt -137.41 137.24 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.238 -0.914 . . . . 1.67 109.497 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 14.7 m-70 -131.93 163.94 27.24 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 109.071 -0.715 . . . . 2.31 109.071 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -100.04 139.56 35.54 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.16 -0.963 . . . . 3.29 109.14 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -89.81 132.0 35.47 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.83 -1.169 . . . . 1.62 109.345 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.37 32.61 0.45 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.242 -0.911 . . . . 2.87 109.328 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.07 -76.26 0.96 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.92 -1.672 . . . . 2.32 108.92 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -110.27 -117.87 0.29 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.635 -0.921 . . . . 3.99 108.528 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -134.26 -31.41 1.11 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.02 -1.05 . . . . 6.26 110.176 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -104.67 24.4 11.82 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.223 -0.923 . . . . 1.66 109.398 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.99 124.05 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.939 -1.101 . . . . 1.63 110.459 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.597 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 12.3 m-85 -120.24 149.18 42.68 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 108.586 -0.894 . . . . 1.6 108.586 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -151.24 158.71 44.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.038 -1.039 . . . . 3.34 109.993 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 19.1 m-85 -129.23 158.23 39.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.528 -0.732 . . . . 1.21 109.925 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.498 1.969 0 CA-C-O 117.956 -1.021 . . . . 2.56 109.393 -179.635 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.614 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 6.6 tt . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 108.015 -1.106 . . . . 3.17 108.015 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.614 ' H ' ' CG1' ' A' ' 25' ' ' ILE . 4.4 tm0? -79.05 157.35 28.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.637 -1.289 . . . . 1.99 109.054 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.57 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -70.15 -66.08 0.64 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.136 -0.978 . . . . 2.17 111.432 -178.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 53.6 p-90 -68.46 -29.85 68.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.769 -1.207 . . . . 1.28 111.878 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.221 -1.549 . . . . 2.89 107.417 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CZ ' ' NH1' ' A' ' 64' ' ' ARG . 31.9 t80 -69.3 -54.52 14.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.583 0.706 . . . . 0.95 109.843 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.17 -43.41 95.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 2.08 109.301 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.83 -43.43 93.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 2.46 109.644 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -61.62 -42.68 99.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.105 -0.997 . . . . 2.46 109.185 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.97 -40.16 83.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.398 -0.814 . . . . 2.1 109.308 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.72 -43.78 94.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.966 -1.084 . . . . 1.97 108.578 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -94.56 63.28 2.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.316 -0.865 . . . . 2.13 109.701 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 55.4 t0 -131.94 -135.62 0.19 Allowed 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.409 -0.96 . . . . 3.08 108.409 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -62.47 -165.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.255 -0.903 . . . . 3.68 108.778 179.635 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 41' ' ' GLN . 71.0 m -67.7 -44.75 76.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.677 -1.264 . . . . 2.78 110.957 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.2 t 58.34 -1.34 0.1 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.203 -0.936 . . . . 2.54 108.898 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.612 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.9 tt0 -60.09 -37.78 80.96 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.511 -0.743 . . . . 3.73 110.641 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -78.39 -12.95 60.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 2.79 110.046 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -110.06 -11.39 14.63 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.402 -0.811 . . . . 1.84 109.863 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' H ' ' A' ' 45' ' ' SER . 8.3 tt -162.3 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.051 -1.031 . . . . 1.68 108.819 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.421 ' H ' HG12 ' A' ' 44' ' ' ILE . 8.9 p -115.67 103.67 10.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.197 -0.939 . . . . 2.19 110.227 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.92 109.77 21.45 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.288 -1.745 . . . . 1.46 106.288 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -67.75 150.95 48.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.867 -1.146 . . . . 2.47 109.61 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.2 39.4 2.88 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.149 -1.58 . . . . 2.13 109.149 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 63.9 t0 -109.62 -114.32 0.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.373 -0.973 . . . . 3.56 108.373 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.409 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -84.47 -98.28 0.64 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.319 -1.512 . . . . 1.46 109.319 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -139.76 57.85 1.62 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.375 -1.074 . . . . 1.22 108.773 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -104.01 113.21 26.58 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.611 -0.885 . . . . 2.5 108.611 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -107.42 124.96 50.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.706 -0.621 . . . . 0.89 109.401 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -119.63 130.54 55.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.64 -0.662 . . . . 2.82 109.564 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 8.8 mp -88.73 94.85 10.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 1.9 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 m -78.06 -58.89 3.02 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.408 -0.808 . . . . 1.97 111.368 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -140.14 78.27 23.97 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.161 -0.962 . . . . 2.54 110.901 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -75.05 57.18 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 N-CA-C 108.513 -1.38 . . . . 1.09 108.513 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.64 -49.47 53.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.005 -1.06 . . . . 2.89 109.772 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.41 -34.68 54.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 3.15 108.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.29 -46.48 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.406 0.622 . . . . 1.35 109.593 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -52.54 64.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.411 -0.806 . . . . 1.4 109.573 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' A' ' 63' ' ' ARG . 44.2 mtt-85 -66.07 -42.54 89.26 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.66 -0.65 . . . . 4.21 110.873 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' NH1' ' CZ ' ' A' ' 30' ' ' PHE . 6.2 tmm_? -62.91 -42.34 99.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.023 -1.048 . . . . 4.01 110.304 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -50.53 -45.41 56.78 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.256 -0.902 . . . . 1.23 109.52 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.94 -18.6 57.71 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.34 -0.933 . . . . 1.11 111.146 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.24 -44.28 95.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.797 -1.413 . . . . 3.18 108.962 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -62.92 -21.37 65.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.149 -0.969 . . . . 4.48 108.386 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -101.05 12.09 38.32 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.489 -0.757 . . . . 3.03 109.931 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 57.16 53.92 7.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.612 -0.884 . . . . 3.8 108.612 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.26 83.13 22.39 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.324 -0.86 . . . . 2.86 109.09 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -55.0 -20.34 22.89 Favored 'Trans proline' 0 C--N 1.321 -0.906 0 C-N-CA 121.477 1.451 . . . . 3.55 110.084 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -102.86 118.35 36.64 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.326 -0.99 . . . . 5.62 108.326 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.5 mmt -129.53 85.77 2.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 2.66 110.053 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.584 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 22.8 t-20 -67.17 143.1 56.77 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.465 -0.939 . . . . 1.68 108.465 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -65.58 -29.68 70.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.983 -1.073 . . . . 1.51 109.389 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.584 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 51.1 tt0 -59.58 -35.16 73.74 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.12 -1.067 . . . . 2.53 108.12 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -54.91 -40.19 69.57 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 119.488 -0.885 . . . . 4.61 109.405 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.44 -38.3 77.77 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.207 -0.933 . . . . 1.76 108.646 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.431 ' HG ' ' N ' ' A' ' 81' ' ' ARG . 80.8 p -63.59 -37.76 88.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.846 -1.159 . . . . 1.86 108.237 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.431 ' N ' ' HG ' ' A' ' 80' ' ' SER . 92.0 mtt180 -67.54 -40.32 85.01 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.115 -1.068 . . . . 5.47 108.115 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.14 -52.04 20.15 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.809 -1.716 . . . . 0.85 108.809 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.2 -32.25 73.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -1.125 . . . . 2.17 109.624 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -48.2 -49.62 32.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.99 . . . . 2.92 108.929 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -79.99 -23.47 41.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.567 -0.708 . . . . 1.64 111.2 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -74.53 68.1 1.57 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 1.27 110.42 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.468 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 17.5 m-85 -136.06 12.77 3.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.29 -1.004 . . . . 2.28 108.29 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.73 -32.48 65.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.384 -0.823 . . . . 2.74 109.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -106.63 141.72 37.44 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.641 -0.874 . . . . 3.0 108.641 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.699 HD21 ' H ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -76.12 89.27 3.04 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.952 -1.129 . . . . 3.23 107.952 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.627 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -132.86 -85.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 115.852 -0.613 . . . . 1.93 110.27 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.627 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 10.4 tt -107.03 135.57 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.291 -0.881 . . . . 1.67 110.063 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -130.26 156.99 43.73 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.486 -0.931 . . . . 2.31 108.486 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.468 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 40.8 mttp -82.94 140.03 33.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.273 -0.892 . . . . 3.29 109.725 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 97' ' ' GLY . 95.1 m -94.87 131.31 40.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.341 -0.849 . . . . 1.62 109.106 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.43 28.3 0.15 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.077 -1.014 . . . . 2.87 110.1 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -76.9 -80.96 0.61 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.917 -1.273 . . . . 2.32 109.917 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -106.13 -115.44 0.25 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.291 -1.123 . . . . 3.99 108.576 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -131.32 -39.65 1.15 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.303 -0.873 . . . . 6.26 109.437 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.79 29.43 5.81 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.571 -0.706 . . . . 1.66 109.755 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.2 128.17 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -0.949 . . . . 1.63 110.232 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.23 151.61 49.71 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.323 -0.861 . . . . 1.6 109.723 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -148.82 162.33 40.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 3.34 109.021 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 16.7 m-85 -130.05 159.83 35.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.435 -0.791 . . . . 1.21 109.115 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 117.934 -1.031 . . . . 2.56 109.823 -179.254 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 25' ' ' ILE . 33.4 mt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 109.128 -0.693 . . . . 3.17 109.128 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.589 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.1 tm0? -86.36 144.76 27.18 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.052 -1.462 . . . . 1.99 107.052 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.7 tt -56.6 -51.49 68.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.002 -1.062 . . . . 2.17 112.154 -177.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.546 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.8 p-90 -77.01 -35.36 57.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.591 -1.318 . . . . 1.28 111.218 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -58.24 -40.16 80.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.229 -1.545 . . . . 2.89 106.987 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.42 -52.43 32.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.771 -0.581 . . . . 0.95 110.54 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.5 tp -64.46 -41.01 96.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.158 -0.964 . . . . 2.08 109.866 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.43 -40.42 95.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.892 -1.13 . . . . 2.46 109.365 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -58.32 -47.45 83.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.634 -1.291 . . . . 2.46 108.805 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.8 tp -68.21 -30.3 69.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 2.1 109.504 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.553 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 12.2 tp -50.7 -44.01 57.93 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.551 -0.718 . . . . 1.97 110.048 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.07 76.22 1.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.881 -1.137 . . . . 2.13 111.29 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -124.79 -63.56 1.16 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.019 -0.734 . . . . 3.08 109.019 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.474 ' NZ ' ' CD2' ' A' ' 43' ' ' PHE . 41.6 pttt -103.51 -160.54 0.78 Allowed 'General case' 0 N--CA 1.508 2.446 0 O-C-N 121.276 -0.89 . . . . 3.68 110.874 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -69.03 -38.66 79.29 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.337 -0.852 . . . . 2.78 109.466 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.7 m 54.5 27.41 8.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.528 -0.733 . . . . 2.54 109.786 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -96.89 -44.36 7.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.379 -0.825 . . . . 3.73 109.972 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.463 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p -78.48 -15.18 58.89 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.261 -0.899 . . . . 2.79 110.913 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CD2' ' NZ ' ' A' ' 38' ' ' LYS . 87.9 m-85 -111.46 -15.1 13.61 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.197 -0.939 . . . . 1.84 110.186 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.452 ' CG1' ' H ' ' A' ' 45' ' ' SER . 13.9 tt -168.5 -176.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 108.079 -1.082 . . . . 1.68 108.079 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.452 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 34.0 m -122.88 123.91 42.04 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.94 -1.1 . . . . 2.19 110.564 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.553 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -112.45 109.73 19.5 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 107.523 -1.288 . . . . 1.46 107.523 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -63.12 145.5 55.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.501 -1.375 . . . . 2.47 109.417 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.84 37.07 4.0 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 109.882 -1.287 . . . . 2.13 109.882 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -117.43 -102.78 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.407 -1.055 . . . . 3.56 110.153 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.86 -108.09 0.84 Allowed Glycine 0 N--CA 1.496 2.645 0 N-CA-C 108.943 -1.663 . . . . 1.46 108.943 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -138.61 85.01 2.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.43 -1.041 . . . . 1.22 108.669 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -131.22 131.13 43.73 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.807 -0.812 . . . . 2.5 108.807 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.459 ' O ' ' O ' ' A' ' 102' ' ' TYR . 37.4 t80 -129.58 129.7 44.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.89 109.275 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -126.6 136.28 52.33 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.243 -0.911 . . . . 2.82 109.305 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 10.4 mp -91.4 100.36 13.16 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 121.375 0.607 . . . . 1.9 110.482 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -78.66 -58.81 3.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.927 . . . . 1.97 110.093 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -139.64 77.32 28.27 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.022 -1.048 . . . . 2.54 110.82 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -74.52 42.14 0.76 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.444 1.429 . . . . 1.09 110.464 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.77 -44.1 74.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.685 -1.259 . . . . 2.89 109.212 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -71.27 -43.16 67.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.223 -0.923 . . . . 3.15 108.68 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' TRP . 38.0 t -67.55 -47.61 79.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.78 -0.575 . . . . 1.35 109.885 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.06 83.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.107 . . . . 1.4 109.06 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.03 -43.18 99.39 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.774 -1.204 . . . . 4.21 107.903 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.632 ' HE ' ' NH2' ' A' ' 68' ' ' ARG . 69.1 ttt180 -65.85 -39.37 90.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 4.01 109.125 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' VAL . 54.5 t-105 -58.82 -41.07 85.98 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.606 0.717 . . . . 1.23 109.095 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.89 -13.5 71.98 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.828 -1.309 . . . . 1.11 109.828 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.58 -40.74 96.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.155 -1.203 . . . . 3.18 109.145 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.632 ' NH2' ' HE ' ' A' ' 64' ' ' ARG . 11.2 mpt_? -60.53 -31.22 70.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.865 . . . . 4.48 109.548 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -88.79 1.11 55.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.949 -1.094 . . . . 3.03 108.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 60.91 27.98 17.79 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.835 -0.541 . . . . 3.8 111.648 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.57 160.0 30.49 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 120.973 -1.079 . . . . 2.86 108.646 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.515 ' O ' ' SD ' ' A' ' 74' ' ' MET . 4.0 Cg_endo -61.98 -153.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.212 -0.821 0 N-CA-C 108.361 -1.438 . . . . 3.55 108.361 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -92.47 126.63 37.64 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.939 -1.134 . . . . 5.62 107.939 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 72' ' ' PRO . 4.4 mpp? -115.87 159.96 20.82 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 109.032 -0.729 . . . . 2.66 109.032 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 p30 -69.38 156.34 38.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.257 -0.902 . . . . 1.68 110.532 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.566 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 81.9 t80 -69.39 -17.35 63.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 1.51 110.071 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -53.67 -35.86 61.52 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.269 -0.894 . . . . 2.53 110.156 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 82' ' ' GLY . 43.3 mtpt -57.67 -35.53 70.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.149 -0.969 . . . . 4.61 109.579 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.35 -46.4 76.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.982 -1.074 . . . . 1.76 109.096 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -60.86 -39.84 90.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.816 -1.177 . . . . 1.86 108.152 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' O ' ' CZ ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -75.49 -44.11 45.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.415 -0.803 . . . . 5.47 109.637 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . -68.12 -47.37 59.67 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.789 -0.924 . . . . 0.85 110.789 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.26 -35.34 78.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.952 -1.322 . . . . 2.17 108.898 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -52.45 -43.82 65.15 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.292 -0.88 . . . . 2.92 109.554 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -71.58 -17.01 62.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.64 109.154 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.5 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 12.1 t80 -77.2 14.82 0.83 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.437 -0.789 . . . . 1.27 110.923 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.633 ' HH ' ' H ' ' A' ' 94' ' ' LYS . 7.4 m-85 -87.25 18.36 3.78 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.988 -1.07 . . . . 2.28 108.956 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.59 -29.58 61.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.96 -1.087 . . . . 2.74 108.31 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -111.76 139.89 46.85 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.394 -0.965 . . . . 3.0 108.394 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -76.51 90.59 3.3 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.93 -1.106 . . . . 3.23 108.622 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.646 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -138.02 -89.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 115.741 -0.663 . . . . 1.93 109.606 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.646 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 9.3 tt -98.28 133.72 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.18 -0.95 . . . . 1.67 111.238 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -128.77 152.3 48.6 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.964 -0.754 . . . . 2.31 108.964 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.633 ' H ' ' HH ' ' A' ' 87' ' ' TYR . 3.0 pptp? -103.84 147.73 26.96 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.994 -1.067 . . . . 3.29 110.076 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 97' ' ' GLY . 89.9 m -88.64 132.08 34.71 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.952 -0.758 . . . . 1.62 108.952 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.99 16.17 3.01 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.276 -0.89 . . . . 2.87 110.863 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.419 ' H ' HG23 ' A' ' 95' ' ' THR . . . -77.18 -38.39 29.8 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 119.539 -1.315 . . . . 2.32 109.957 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -127.34 -134.32 0.24 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.361 -1.082 . . . . 3.99 108.161 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 -30.41 0.91 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.82 -1.175 . . . . 6.26 109.886 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -106.15 21.78 16.79 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.13 -0.982 . . . . 1.66 110.159 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 m -91.43 120.09 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.046 -1.034 . . . . 1.63 110.218 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 7.8 m-85 -119.08 150.41 40.03 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 109.134 -0.691 . . . . 1.6 109.134 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -158.75 169.15 25.02 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 120.889 -1.132 . . . . 3.34 109.694 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.447 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 31.3 m-85 -130.87 163.75 26.73 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.793 -0.567 . . . . 1.21 109.791 -178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 117.945 -1.026 . . . . 2.56 109.396 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.7 mm . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 109.263 -0.643 . . . . 3.17 109.263 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.555 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 5.9 tm0? -89.75 159.37 17.09 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.773 -0.825 . . . . 1.99 108.773 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.555 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 5.0 tt -65.91 -67.24 0.46 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.2 -0.937 . . . . 2.17 111.773 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.6 p-90 -71.04 -38.86 72.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.11 -0.993 . . . . 1.28 112.085 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -50.08 62.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.409 -1.432 . . . . 2.89 108.12 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -64.04 -51.64 63.18 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.638 -0.664 . . . . 0.95 110.507 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.64 -40.15 90.89 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.191 -0.943 . . . . 2.08 108.611 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -67.87 -41.12 83.32 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.994 -0.743 . . . . 2.46 108.994 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -62.31 -39.68 93.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.064 -1.023 . . . . 2.46 109.342 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 44.1 tp -58.04 -34.11 69.73 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.847 0.832 . . . . 2.1 109.32 -179.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.476 ' CA ' ' HE1' ' A' ' 46' ' ' TRP . 5.9 mp -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.483 -0.761 . . . . 1.97 111.615 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.4 p -95.63 -3.16 46.76 Favored 'General case' 0 N--CA 1.511 2.58 0 O-C-N 120.648 -1.283 . . . . 2.13 113.097 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.653 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 43.3 p30 -101.69 -96.33 0.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.767 -1.208 . . . . 3.08 109.246 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.653 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 4.3 tmmm? -55.24 148.31 14.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.57 -1.331 . . . . 3.68 108.677 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.8 t -66.25 -43.23 87.13 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.923 -1.11 . . . . 2.78 110.691 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 71.24 -4.66 1.75 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.673 -0.642 . . . . 2.54 110.059 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -56.24 -39.24 72.25 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.903 -1.123 . . . . 3.73 109.713 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.9 t -83.28 -14.61 52.73 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.601 -0.687 . . . . 2.79 109.872 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -109.64 -10.22 14.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 1.84 109.858 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 tt -165.92 -170.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.997 -1.112 . . . . 1.68 107.997 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.43 ' H ' HG12 ' A' ' 44' ' ' ILE . 75.2 m -114.39 81.03 1.48 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.16 -0.962 . . . . 2.19 110.642 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.476 ' HE1' ' CA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.25 94.76 9.34 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.58 -1.267 . . . . 1.46 107.58 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -64.65 142.8 58.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.416 -1.427 . . . . 2.47 109.583 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.4 52.72 2.1 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 109.124 -1.59 . . . . 2.13 109.124 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 56.0 p30 -110.46 -121.64 0.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.665 -0.903 . . . . 3.56 108.916 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 49' ' ' ASP . . . -80.92 -95.67 0.41 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.155 -1.978 . . . . 1.46 108.155 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -145.92 78.82 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.95 -1.324 . . . . 1.22 109.62 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -129.61 130.0 45.07 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.813 -1.18 . . . . 2.5 107.813 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -119.36 128.48 54.12 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.755 -0.591 . . . . 0.89 109.678 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -122.8 136.12 54.76 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.544 -0.723 . . . . 2.82 109.473 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -92.41 99.78 12.47 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.112 -0.993 . . . . 1.9 109.86 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.0 t -79.91 -59.15 2.84 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.957 -1.089 . . . . 1.97 109.534 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -148.8 79.85 8.4 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.52 -0.737 . . . . 2.54 110.4 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -74.38 49.4 2.04 Favored 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.282 1.321 . . . . 1.09 109.341 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.67 -40.35 76.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.524 -1.36 . . . . 2.89 110.164 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.12 -28.95 38.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.826 -1.171 . . . . 3.15 108.967 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.24 -38.18 80.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.816 -1.177 . . . . 1.35 108.286 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.33 85.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.727 -0.608 . . . . 1.4 110.177 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -71.47 -35.56 70.89 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.682 -1.261 . . . . 4.21 109.736 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' C ' ' NE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -69.87 -42.84 72.96 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.234 -0.916 . . . . 4.01 108.87 179.603 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -58.41 -40.65 83.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.269 -0.895 . . . . 1.23 109.474 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.34 -22.49 60.47 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.95 -1.119 . . . . 1.11 110.328 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.47 -40.3 89.29 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -1.115 . . . . 3.18 109.643 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -27.07 65.66 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.077 -1.014 . . . . 4.48 109.967 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -96.95 12.41 32.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.371 -0.831 . . . . 3.03 109.349 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 56.35 58.49 4.22 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.409 0.623 . . . . 3.8 111.026 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.673 ' HZ2' ' CE ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -134.45 159.12 73.48 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 107.427 -1.323 . . . . 2.86 107.427 178.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.28 -87.32 0.0 OUTLIER 'Trans proline' 0 C--O 1.214 -0.714 0 C-N-CA 121.364 1.376 . . . . 3.55 109.893 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.87 159.5 41.68 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.207 -0.933 . . . . 5.62 109.814 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.673 ' CE ' ' HZ2' ' A' ' 71' ' ' LYS . 61.2 mtt -130.27 132.53 45.96 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.48 -0.763 . . . . 2.66 110.195 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.656 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -69.9 160.24 32.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.639 -1.245 . . . . 1.68 107.639 178.285 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.457 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 62.6 t80 -65.99 -28.24 68.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.883 -1.136 . . . . 1.51 110.797 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.656 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.4 mt-10 -59.97 -30.59 69.2 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.65 -1.282 . . . . 2.53 108.96 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -56.8 -38.51 72.66 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 118.808 -1.157 . . . . 4.61 108.857 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.44 -43.18 86.32 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.138 -1.06 . . . . 1.76 108.138 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 77' ' ' GLU . 81.1 p -60.78 -36.36 78.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.041 -1.037 . . . . 1.86 108.733 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' A' ' 81' ' ' ARG . 23.7 mtt-85 -60.35 -43.93 96.02 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.138 -0.976 . . . . 5.47 109.303 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.51 -45.69 9.48 Favored Glycine 0 N--CA 1.481 1.64 0 N-CA-C 109.871 -1.292 . . . . 0.85 109.871 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.74 -33.61 74.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -1.122 . . . . 2.17 112.632 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.645 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -59.77 -39.27 84.3 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.109 -1.619 . . . . 2.92 109.574 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.645 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 77.2 t80 -86.59 -16.97 35.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.624 -0.673 . . . . 1.64 110.272 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -69.03 2.2 2.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.058 -1.026 . . . . 1.27 111.078 -177.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.41 ' HH ' ' H ' ' A' ' 94' ' ' LYS . 15.4 m-85 -76.62 61.27 1.78 Allowed 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.254 -1.387 . . . . 2.28 107.254 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -79.69 -53.95 6.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.103 -0.998 . . . . 2.74 110.669 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.41 ' NZ ' ' CB ' ' A' ' 89' ' ' LYS . 8.9 mtpm? -113.31 -98.58 0.43 Allowed 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.987 0.899 . . . . 3.0 109.192 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -162.0 84.39 0.59 Allowed 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.874 -1.158 . . . . 3.23 107.874 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -128.61 -51.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.796 -0.565 . . . . 1.93 109.702 -178.519 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.508 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 6.4 tt -134.28 128.26 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.749 -1.219 . . . . 1.67 109.428 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -128.79 138.96 52.37 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.277 -0.638 . . . . 2.31 109.277 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' H ' ' HH ' ' A' ' 87' ' ' TYR . 22.8 pttm -76.82 152.56 35.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 3.29 109.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.4 m -88.32 137.84 31.97 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.661 -0.866 . . . . 1.62 108.661 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.99 19.2 0.43 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.357 -0.84 . . . . 2.87 110.447 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.46 -87.12 0.66 Allowed Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.325 -1.51 . . . . 2.32 109.325 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -104.42 -178.13 3.57 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.473 -1.016 . . . . 3.99 109.054 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -87.37 -12.69 45.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.987 -1.07 . . . . 6.26 110.955 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.22 5.66 30.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.117 -0.989 . . . . 1.66 110.77 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.3 m -91.06 123.77 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.625 -1.297 . . . . 1.63 111.372 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.457 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 25.7 m-85 -121.72 152.26 39.61 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.639 -0.874 . . . . 1.6 108.639 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -151.43 156.05 39.85 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.253 -1.017 . . . . 3.34 108.253 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 24.3 m-85 -118.01 144.49 45.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.465 -0.772 . . . . 1.21 109.169 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 118.113 -0.946 . . . . 2.56 109.491 -178.515 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 tt . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.737 -0.838 . . . . 3.17 108.737 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.605 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 9.3 tm0? -83.59 155.14 23.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 1.99 108.46 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 7.5 tt -55.52 -56.23 22.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.142 -0.974 . . . . 2.17 112.565 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.427 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 53.2 p-90 -76.07 -30.25 58.28 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.359 -1.463 . . . . 1.28 111.115 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.64 -39.29 80.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.463 -1.398 . . . . 2.89 107.411 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -67.88 -49.86 59.66 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.416 0.626 . . . . 0.95 109.377 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.458 -0.776 . . . . 2.08 108.99 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -47.92 79.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.52 -0.737 . . . . 2.46 110.197 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -58.46 -43.25 88.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.708 -1.245 . . . . 2.46 109.933 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.76 -27.65 66.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.082 . . . . 2.1 108.759 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -59.54 -48.48 81.49 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 109.135 -0.691 . . . . 1.97 109.135 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -104.8 62.12 0.7 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.084 -1.01 . . . . 2.13 109.922 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 67.0 t0 -136.15 -120.61 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.453 -0.78 . . . . 3.08 109.243 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 39' ' ' SER . 6.2 ttpm? -55.48 163.61 1.22 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.174 -0.954 . . . . 3.68 108.92 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 16.8 t -60.45 -38.57 84.59 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.027 -1.101 . . . . 2.78 108.027 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' ILE . 35.5 m 58.69 16.6 4.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.763 -0.829 . . . . 2.54 108.763 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 44' ' ' ILE . 6.0 tm0? -67.13 -41.19 86.54 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.594 -0.691 . . . . 3.73 110.67 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -73.81 -30.04 62.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.127 -0.983 . . . . 2.79 110.465 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -107.69 6.69 27.96 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.072 -1.017 . . . . 1.84 109.12 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -169.15 -175.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.534 -1.284 . . . . 1.68 107.534 -178.328 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.496 ' N ' ' CG2' ' A' ' 44' ' ' ILE . 43.0 t -129.95 104.91 7.64 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.195 -0.941 . . . . 2.19 109.276 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.415 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -94.24 127.71 40.26 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.704 -1.221 . . . . 1.46 107.704 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 52' ' ' GLU . 3.6 m -61.13 135.54 57.79 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.101 -0.999 . . . . 2.47 110.913 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.23 6.37 82.53 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.579 -1.408 . . . . 2.13 109.579 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' H ' HG21 ' A' ' 47' ' ' THR . 93.8 m-20 -126.44 -94.37 0.46 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.465 -1.021 . . . . 3.56 110.697 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.07 -117.5 0.7 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.48 -1.048 . . . . 1.46 110.48 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.408 ' N ' ' OE2' ' A' ' 52' ' ' GLU . 2.9 t90 -140.17 57.35 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.861 . . . . 1.22 109.102 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 47' ' ' THR . 2.1 mp0 -97.0 77.67 2.76 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 105.945 -1.872 . . . . 2.5 105.945 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -83.98 130.88 34.87 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.347 0.594 . . . . 0.89 110.198 -176.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -141.13 146.92 37.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.37 -0.974 . . . . 2.82 108.37 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 9.5 mp -91.95 99.21 12.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.099 -1.001 . . . . 1.9 110.019 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.5 p -74.5 -49.37 22.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 1.97 110.86 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -139.75 76.98 28.28 Favored Pre-proline 0 N--CA 1.509 2.488 0 O-C-N 120.882 -1.136 . . . . 2.54 111.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -77.54 54.52 4.78 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.745 1.63 . . . . 1.09 109.738 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -71.58 -40.91 69.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.91 -1.119 . . . . 2.89 110.582 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -90.03 -32.96 16.52 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.834 -1.166 . . . . 3.15 109.661 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.02 -44.31 92.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.375 -0.972 . . . . 1.35 108.375 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.27 95.09 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.699 -0.852 . . . . 1.4 108.699 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -60.39 -43.61 96.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.006 -1.059 . . . . 4.21 109.098 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.523 HH22 ' HZ1' ' A' ' 67' ' ' LYS . 3.1 mmp_? -68.88 -40.54 79.17 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.864 . . . . 4.01 110.576 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.403 ' CD1' ' NZ ' ' A' ' 69' ' ' LYS . 22.9 t-105 -66.06 -42.67 89.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.93 . . . . 1.23 109.616 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.78 -30.5 55.96 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.027 -1.229 . . . . 1.11 110.027 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.523 ' HZ1' HH22 ' A' ' 64' ' ' ARG . 82.2 tttt -66.03 -40.14 90.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.127 -1.219 . . . . 3.18 110.361 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.552 ' CG ' HH11 ' A' ' 68' ' ' ARG . 0.3 OUTLIER -59.39 -10.48 3.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.857 -1.152 . . . . 4.48 109.135 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 58.9 mttp -93.12 9.07 37.49 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.117 -0.989 . . . . 3.03 110.416 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.1 m120 52.09 41.65 30.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.79 -1.194 . . . . 3.8 108.79 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 72' ' ' PRO . 4.6 mtpp -148.9 159.82 36.77 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.263 -0.898 . . . . 2.86 109.045 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 71' ' ' LYS . 5.6 Cg_exo -49.87 -175.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 121.192 1.261 . . . . 3.55 110.925 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -91.29 128.74 37.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.563 -0.71 . . . . 5.62 109.924 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 56.3 tpp -108.92 158.03 18.07 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 108.62 -0.882 . . . . 2.66 108.62 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -63.07 167.09 5.18 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 122.048 0.928 . . . . 1.68 111.95 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.482 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 63.3 t80 -63.99 -20.64 66.04 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.537 -0.542 . . . . 1.51 109.537 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.13 -27.54 46.04 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.088 -1.008 . . . . 2.53 108.59 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 40.3 pttt -59.36 -41.38 89.14 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.781 -0.822 . . . . 4.61 108.781 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.8 mt -68.58 -44.95 73.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.308 -0.87 . . . . 1.76 110.279 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 m -60.73 -44.17 96.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.857 -1.152 . . . . 1.86 110.088 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.558 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -63.65 -40.2 96.26 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.557 -0.714 . . . . 5.47 110.496 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.47 -44.65 6.1 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 119.694 -1.241 . . . . 0.85 110.645 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.14 -40.96 91.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -1.094 . . . . 2.17 109.676 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.692 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -61.09 -35.93 78.3 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.537 -1.352 . . . . 2.92 109.314 179.626 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.692 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 70.5 t80 -76.5 -9.09 58.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.222 -0.924 . . . . 1.64 109.702 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.4 t80 -73.89 11.94 0.78 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 1.27 110.856 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.508 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.4 m-85 -76.13 11.2 1.57 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.898 -1.126 . . . . 2.28 109.634 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -74.41 -33.98 63.15 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.702 -1.222 . . . . 2.74 107.702 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -108.58 137.05 47.17 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.399 -1.334 . . . . 3.0 107.399 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -76.72 90.02 3.41 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.013 -1.106 . . . . 3.23 108.013 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.608 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.2 tp -138.3 -84.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-N 116.157 -0.474 . . . . 1.93 110.434 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.608 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 10.5 tt -98.44 132.63 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.837 -1.165 . . . . 1.67 110.781 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.508 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 12.7 m-70 -128.77 115.21 17.61 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.023 -1.103 . . . . 2.31 108.023 178.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' H ' ' CD ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -80.68 174.87 11.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.006 -1.059 . . . . 3.29 110.018 -178.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 97' ' ' GLY . 6.7 m -87.69 141.34 28.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.022 -1.049 . . . . 1.62 108.213 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.8 17.28 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 2.87 110.184 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -81.86 -123.54 0.69 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 109.309 -1.516 . . . . 2.32 109.309 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -142.36 -41.7 0.33 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.68 -0.894 . . . . 3.99 110.035 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.22 163.91 1.47 Allowed 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.773 0.796 . . . . 6.26 110.752 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -73.94 48.35 0.29 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.627 -0.671 . . . . 1.66 109.835 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.84 122.58 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.133 -0.979 . . . . 1.63 109.558 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.482 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 66.5 m-85 -119.29 153.98 34.21 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.889 -0.782 . . . . 1.6 108.889 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -149.75 158.07 43.82 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.631 -0.877 . . . . 3.34 108.631 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.526 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 28.8 m-85 -130.47 159.71 36.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 1.21 109.595 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.027 -0.987 . . . . 2.56 109.146 -179.384 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 108.875 -0.787 . . . . 3.17 108.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 1.3 tm0? -80.16 143.5 33.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.059 -1.026 . . . . 1.99 109.274 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.553 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.9 tt -59.88 -49.91 75.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 2.17 112.245 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 62.7 p-90 -82.87 -33.34 27.02 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.132 -1.605 . . . . 1.28 111.586 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -58.43 -37.84 76.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.151 -1.593 . . . . 2.89 107.824 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 68' ' ' ARG . 15.1 t80 -70.32 -56.02 7.75 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.616 -0.678 . . . . 0.95 109.667 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.59 -46.34 87.18 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.953 -1.092 . . . . 2.08 108.711 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -59.83 -44.01 94.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.904 -1.123 . . . . 2.46 108.516 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -62.37 -41.18 98.42 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.681 -1.229 . . . . 2.46 107.681 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.406 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.77 -45.77 91.14 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.096 -1.446 . . . . 2.1 107.096 178.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.0 tp -49.94 -41.71 46.93 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.236 -0.653 . . . . 1.97 109.236 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -97.35 60.46 1.63 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.311 -0.868 . . . . 2.13 110.022 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -119.08 -139.66 0.35 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.52 -0.737 . . . . 3.08 109.624 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.581 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 7.8 ttpt -56.82 -177.97 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.362 -0.836 . . . . 3.68 108.753 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.541 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 22.5 m -67.91 -34.2 76.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.042 -1.036 . . . . 2.78 108.873 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.581 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 64.2 m 56.11 17.36 2.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.562 -0.711 . . . . 2.54 109.814 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.11 -44.9 94.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.815 -1.178 . . . . 3.73 110.927 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -4.17 52.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.971 -1.081 . . . . 2.79 110.239 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 9.8 m-85 -118.28 -17.6 9.47 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.268 -0.895 . . . . 1.84 109.342 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.4 tt -163.79 -167.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 108.061 -1.089 . . . . 1.68 108.061 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -128.1 122.05 31.11 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.891 -1.13 . . . . 2.19 110.444 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 108.06 15.52 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.541 -1.281 . . . . 1.46 107.541 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.1 p -70.06 159.43 33.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.847 -1.158 . . . . 2.47 109.891 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 52.99 0.67 Allowed Glycine 0 N--CA 1.497 2.703 0 N-CA-C 108.731 -1.748 . . . . 2.13 108.731 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -113.66 -149.69 0.45 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.64 -0.918 . . . . 3.56 109.121 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.69 -54.24 6.06 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.109 -1.596 . . . . 1.46 109.109 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -165.62 79.25 0.3 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.087 -1.243 . . . . 1.22 109.164 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.37 130.29 40.51 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.918 -0.771 . . . . 2.5 108.918 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -123.59 136.5 54.56 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.547 -0.72 . . . . 0.89 110.263 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -126.32 139.82 53.0 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.946 -0.761 . . . . 2.82 108.946 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -95.54 108.48 20.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.57 -0.706 . . . . 1.9 110.437 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -82.09 -65.76 0.97 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.936 -1.102 . . . . 1.97 109.286 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' ASP . 69.5 m-20 -147.26 72.35 12.0 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.103 -0.998 . . . . 2.54 110.757 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.93 64.44 0.22 Allowed 'Trans proline' 0 C--N 1.315 -1.198 0 C-N-CA 121.329 1.352 . . . . 1.09 110.449 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' ASP . 63.1 t0 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.729 -1.232 . . . . 2.89 110.474 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -80.51 -29.89 37.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 3.15 110.233 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.7 -44.12 79.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 1.35 110.508 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.23 82.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.026 -1.046 . . . . 1.4 109.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 9.3 mpt_? -67.01 -43.31 83.2 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.501 -0.749 . . . . 4.21 109.591 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' A' ' 64' ' ' ARG . 0.6 OUTLIER -63.93 -40.09 95.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.914 -1.116 . . . . 4.01 109.555 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -60.57 -34.17 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.19 -0.944 . . . . 1.23 109.106 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.09 -29.87 59.92 Favored Glycine 0 N--CA 1.493 2.491 0 C-N-CA 120.463 -0.875 . . . . 1.11 111.064 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -66.34 -40.47 89.87 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.854 -1.38 . . . . 3.18 111.401 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 30' ' ' PHE . 35.5 ttm180 -58.73 -25.63 63.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.992 -1.068 . . . . 4.48 109.773 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' NZ ' ' CB ' ' A' ' 69' ' ' LYS . 6.7 mtpm? -91.82 9.96 30.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.399 -0.813 . . . . 3.03 109.161 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.5 m120 55.45 50.46 14.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 3.8 110.392 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 72' ' ' PRO . 57.5 mttp -138.85 151.67 68.85 Favored Pre-proline 0 N--CA 1.496 1.831 0 N-CA-C 108.87 -0.789 . . . . 2.86 108.87 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.3 Cg_exo -55.23 -166.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.067 0 N-CA-C 108.465 -1.398 . . . . 3.55 108.465 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -85.33 142.57 29.23 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.734 -1.229 . . . . 5.62 110.053 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mtp -131.85 163.96 27.12 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.819 0.819 . . . . 2.66 110.181 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -68.22 156.52 37.45 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.927 0.87 . . . . 1.68 111.293 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -61.27 -12.31 12.94 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.422 0.63 . . . . 1.51 109.603 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -58.12 -37.64 74.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.347 -0.846 . . . . 2.53 110.355 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.83 -33.51 68.7 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.91 -1.118 . . . . 4.61 109.937 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.8 mt -67.93 -46.38 71.66 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.366 -0.934 . . . . 1.76 108.484 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -67.23 -43.32 82.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.849 -1.157 . . . . 1.86 108.897 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.5 ' O ' ' CZ ' ' A' ' 84' ' ' ARG . 35.8 ttp180 -68.0 -40.34 83.03 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.582 0.706 . . . . 5.47 109.381 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.85 -44.31 5.78 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 121.014 -1.054 . . . . 0.85 111.314 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 79' ' ' LEU . 7.2 tt -64.88 -36.26 83.77 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.791 -1.417 . . . . 2.17 109.989 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.559 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -56.48 -44.41 80.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.666 -1.271 . . . . 2.92 109.158 -178.774 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.432 ' H ' ' HG3' ' A' ' 84' ' ' ARG . 66.0 t80 -61.09 -13.12 14.93 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.82 -1.175 . . . . 1.64 108.52 178.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.47 ' C ' ' H ' ' A' ' 88' ' ' ASP . 4.2 t80 -76.54 6.78 5.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.542 -0.724 . . . . 1.27 111.608 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 34.6 m-85 -80.27 20.91 0.64 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.132 -1.605 . . . . 2.28 108.26 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 86' ' ' TYR . 95.7 m-20 -72.49 -37.64 68.37 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.806 -1.183 . . . . 2.74 107.806 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -108.76 136.38 48.42 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.138 -1.431 . . . . 3.0 107.138 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -77.81 86.82 4.05 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.623 -1.231 . . . . 3.23 108.049 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -127.4 -44.31 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 CA-C-N 115.311 -0.859 . . . . 1.93 109.334 -178.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.472 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 5.3 tt -137.97 129.75 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.924 -1.11 . . . . 1.67 109.186 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -120.3 147.89 44.42 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 2.31 109.199 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -73.66 143.28 46.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.465 -0.772 . . . . 3.29 110.08 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -96.43 128.24 43.17 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.747 . . . . 1.62 109.409 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.68 47.13 1.46 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.724 -1.235 . . . . 2.87 108.669 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.81 -73.91 1.28 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.556 -1.018 . . . . 2.32 110.556 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -111.83 -71.11 0.77 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.307 -1.114 . . . . 3.99 110.285 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -170.97 -57.39 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.234 -0.916 . . . . 6.26 108.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.61 27.11 3.15 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.176 -0.675 . . . . 1.66 109.176 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.19 124.47 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.395 -0.815 . . . . 1.63 110.837 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -115.64 151.88 34.18 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.53 -0.731 . . . . 1.6 109.581 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -148.89 149.88 32.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.135 -0.978 . . . . 3.34 109.219 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 17.0 m-85 -118.61 150.92 38.88 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.616 0.722 . . . . 1.21 110.416 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.84 -1.076 . . . . 2.56 109.176 -179.615 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 14.7 tt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.082 -0.71 . . . . 3.17 109.082 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.567 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.2 tm0? -86.87 152.52 22.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.214 -0.929 . . . . 1.99 108.919 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.567 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 9.4 tt -56.07 -56.28 22.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 2.17 112.163 -178.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.545 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.6 p-90 -76.54 -31.7 57.77 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.132 -1.605 . . . . 1.28 110.645 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.38 -42.8 92.51 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 118.244 -1.383 . . . . 2.89 107.28 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -62.85 -54.08 44.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.449 -0.782 . . . . 0.95 109.216 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.37 -41.81 97.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 2.08 109.891 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.63 -46.52 87.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.959 . . . . 2.46 109.95 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.92 -43.87 97.97 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.787 -1.195 . . . . 2.46 108.815 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -65.27 -28.13 69.13 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.108 -0.701 . . . . 2.1 109.108 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 5.2 tp -56.08 -40.3 73.41 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.49 -0.756 . . . . 1.97 109.58 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -121.94 55.69 1.11 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.472 -0.768 . . . . 2.13 109.507 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -125.73 -104.44 0.35 Allowed 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.507 -0.746 . . . . 3.08 109.193 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.558 ' NZ ' ' HG ' ' A' ' 40' ' ' CYS . 2.7 pptp? -53.42 161.67 0.93 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.299 -0.876 . . . . 3.68 109.146 179.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -67.55 115.54 7.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.328 -1.36 . . . . 2.78 107.328 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HG ' ' NZ ' ' A' ' 38' ' ' LYS . 76.2 m -90.61 27.85 1.64 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.556 -0.715 . . . . 2.54 109.669 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -97.27 -39.03 9.44 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.223 -0.923 . . . . 3.73 111.393 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -79.21 -29.63 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.96 -1.088 . . . . 2.79 112.212 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CE2' ' CD ' ' A' ' 60' ' ' GLU . 96.8 m-85 -110.64 1.78 18.21 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.921 -1.112 . . . . 1.84 110.893 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.53 ' CG1' ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -171.8 173.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 118.461 -1.296 . . . . 1.68 109.542 -177.376 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 41.5 t -114.23 102.69 10.37 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.211 -0.93 . . . . 2.19 109.111 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.456 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.35 87.84 2.72 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.046 -1.464 . . . . 1.46 107.046 179.502 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -58.86 141.71 52.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.993 -1.067 . . . . 2.47 109.645 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.76 47.27 1.19 Allowed Glycine 0 N--CA 1.499 2.869 0 N-CA-C 109.858 -1.297 . . . . 2.13 109.858 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -112.59 -97.52 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.383 -1.069 . . . . 3.56 109.527 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.35 -102.0 0.6 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 108.809 -1.716 . . . . 1.46 108.809 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -156.62 82.21 0.96 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.229 -1.159 . . . . 1.22 109.408 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' OE2' ' CZ ' ' A' ' 103' ' ' ARG . 81.0 mm-40 -132.92 128.91 37.56 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.543 -1.28 . . . . 2.5 107.543 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -119.37 123.69 44.76 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.436 -0.79 . . . . 0.89 109.51 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -129.57 118.02 21.35 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.269 -0.894 . . . . 2.82 109.752 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -85.05 98.69 10.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.68 -0.637 . . . . 1.9 109.396 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.434 ' HG ' ' HA ' ' A' ' 44' ' ' ILE . 82.9 p -76.09 -39.28 55.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.09 -1.006 . . . . 1.97 110.066 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 59' ' ' ASP . 86.2 m-20 -134.74 71.44 70.37 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.317 -0.865 . . . . 2.54 109.883 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -72.18 33.05 0.28 Allowed 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.266 1.311 . . . . 1.09 110.114 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' A' ' 57' ' ' ASP . 97.3 m-20 -69.89 -40.89 75.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.614 -1.304 . . . . 2.89 110.814 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 81.7 mt-10 -79.35 -41.72 27.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.968 -1.082 . . . . 3.15 109.099 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.7 -40.73 88.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 108.625 -0.88 . . . . 1.35 108.625 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.31 88.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.935 -1.103 . . . . 1.4 108.095 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.66 -44.11 87.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.535 -0.728 . . . . 4.21 109.289 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -59.38 -44.25 92.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 4.01 110.015 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -64.55 -37.19 86.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.554 -0.716 . . . . 1.23 110.173 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.48 -48.18 45.89 Favored Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.234 -0.984 . . . . 1.11 111.59 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -67.22 -14.76 63.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.773 -1.428 . . . . 3.18 111.219 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.09 74.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.704 -1.248 . . . . 4.48 109.963 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -104.29 18.72 21.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.177 -0.952 . . . . 3.03 109.973 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 59.37 59.94 2.48 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.196 -0.94 . . . . 3.8 109.558 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.23 149.7 70.34 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 106.817 -1.549 . . . . 2.86 106.817 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -50.57 -86.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.088 0 N-CA-C 109.903 -0.845 . . . . 3.55 109.903 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.48 ' C ' ' SD ' ' A' ' 74' ' ' MET . 2.8 mptt -136.29 136.93 40.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.06 -1.025 . . . . 5.62 110.598 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.48 ' SD ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -115.76 115.81 26.95 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.881 -1.155 . . . . 2.66 107.881 178.048 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 28.0 p30 -71.86 178.83 3.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 1.68 110.893 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.01 -28.03 67.91 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.723 -0.611 . . . . 1.51 109.995 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 72.3 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 2.53 110.536 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -56.55 -36.31 69.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 4.61 109.334 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.6 mt -66.96 -41.54 86.7 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.734 -0.786 . . . . 1.76 109.576 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.0 p -64.91 -44.31 89.97 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.033 -1.067 . . . . 1.86 109.232 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -70.17 -39.49 75.26 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.194 -0.941 . . . . 5.47 110.79 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -84.11 -51.33 4.0 Favored Glycine 0 N--CA 1.495 2.617 0 O-C-N 120.87 -1.144 . . . . 0.85 111.55 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.54 -28.61 69.98 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.094 -1.239 . . . . 2.17 110.205 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -60.03 -48.17 82.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.567 -1.333 . . . . 2.92 108.988 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.52 -8.66 2.93 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.331 -0.856 . . . . 1.64 109.632 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.484 ' C ' ' H ' ' A' ' 88' ' ' ASP . 3.9 t80 -74.78 4.91 5.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.132 -0.98 . . . . 1.27 111.056 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -68.51 7.83 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.983 -1.073 . . . . 2.28 109.251 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 86' ' ' TYR . 62.2 t0 -72.05 -37.81 69.61 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.753 -0.832 . . . . 2.74 108.753 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -105.4 137.27 43.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.619 -1.252 . . . . 3.0 107.619 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -77.02 93.01 3.77 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.724 -1.235 . . . . 3.23 107.96 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.6 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -140.12 -84.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.837 -0.539 . . . . 1.93 110.463 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.6 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 12.8 tt -99.43 135.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.069 -1.019 . . . . 1.67 110.518 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -122.06 147.51 46.01 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.475 0.655 . . . . 2.31 109.499 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -81.65 152.33 27.18 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.785 0.802 . . . . 3.29 109.944 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.2 m -92.08 123.02 35.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.613 -0.679 . . . . 1.62 109.689 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.42 -8.98 59.5 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.338 -0.851 . . . . 2.87 109.149 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.16 -34.98 39.64 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.941 -1.264 . . . . 2.32 109.941 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -129.89 178.8 6.26 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.518 -0.99 . . . . 3.99 109.114 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.08 -29.48 9.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.572 -0.705 . . . . 6.26 111.132 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -105.54 10.41 33.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.105 -0.997 . . . . 1.66 110.761 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.1 130.69 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.128 -0.983 . . . . 1.63 111.956 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -105.69 156.13 18.58 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.067 -1.086 . . . . 1.6 108.067 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.43 ' CZ ' ' OE2' ' A' ' 52' ' ' GLU . 58.6 ttt180 -145.15 150.99 37.74 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.166 -1.05 . . . . 3.34 108.166 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 21.5 m-85 -122.58 164.42 18.2 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.518 -0.739 . . . . 1.21 110.029 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.163 -0.922 . . . . 2.56 109.393 -179.144 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.558 HG12 ' H ' ' A' ' 26' ' ' GLN . 10.9 tt . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 108.832 -0.803 . . . . 3.17 108.832 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.596 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 11.6 tm0? -88.41 158.03 18.51 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.513 -1.367 . . . . 1.99 108.576 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.1 tt -60.03 -52.52 65.04 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.079 -1.013 . . . . 2.17 112.135 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.4 p-90 -77.0 -31.06 56.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.581 -1.324 . . . . 1.28 110.698 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' OE1' ' CZ3' ' A' ' 28' ' ' TRP . 15.0 mm100 -60.08 -41.9 93.43 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.24 -1.392 . . . . 2.89 107.24 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -65.66 -55.68 16.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.369 -0.832 . . . . 0.95 109.132 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.56 -42.66 98.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.533 -0.729 . . . . 2.08 110.319 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.77 -46.67 86.94 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.704 -1.247 . . . . 2.46 110.5 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.38 -49.86 75.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.922 -1.111 . . . . 2.46 110.684 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 tp -65.44 -39.77 92.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.872 -1.143 . . . . 2.1 108.46 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.575 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 8.5 tt -68.73 -9.82 52.88 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.053 -0.522 . . . . 1.97 110.212 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.558 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 94.1 m -68.86 -79.99 0.05 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 118.898 -1.121 . . . . 2.13 112.278 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -134.43 28.24 3.69 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.933 -1.104 . . . . 3.08 112.37 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -70.14 151.75 45.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.453 -1.405 . . . . 3.68 108.225 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -72.22 57.84 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 2.78 108.964 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.3 p -90.26 -8.92 49.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.505 -0.747 . . . . 2.54 110.391 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -57.77 -15.08 7.02 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 118.687 -1.205 . . . . 3.73 109.285 -178.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.1 m -75.18 -41.62 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.113 -0.992 . . . . 2.79 109.601 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.67 11.25 26.63 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.702 -1.221 . . . . 1.84 107.702 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -161.6 -167.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.868 -1.53 . . . . 1.68 106.868 -179.38 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.495 ' N ' ' CG2' ' A' ' 44' ' ' ILE . 40.2 t -140.61 120.75 13.79 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.837 -1.165 . . . . 2.19 110.286 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.575 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -105.12 109.34 21.29 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.005 -1.48 . . . . 1.46 107.005 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 52' ' ' GLU . 13.2 t -52.77 148.03 8.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.721 -1.237 . . . . 2.47 109.792 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.24 25.46 23.37 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 108.41 -1.876 . . . . 2.13 108.41 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -115.3 -103.75 0.41 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.422 -1.046 . . . . 3.56 110.062 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.84 -110.81 0.77 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.958 -1.257 . . . . 1.46 109.958 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -139.38 84.68 2.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.596 -0.943 . . . . 1.22 109.677 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' H ' HG23 ' A' ' 47' ' ' THR . 92.1 mt-10 -132.7 130.95 40.72 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.593 -1.262 . . . . 2.5 107.593 178.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -121.4 130.78 53.8 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.247 -0.908 . . . . 0.89 109.101 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -116.6 116.52 27.74 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.234 -0.916 . . . . 2.82 111.111 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mt -87.37 75.29 9.27 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.819 -0.808 . . . . 1.9 108.819 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -78.46 -49.66 13.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.605 -0.685 . . . . 1.97 111.911 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -134.72 69.07 72.09 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.157 -0.964 . . . . 2.54 111.082 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -67.22 69.88 0.61 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.589 1.526 . . . . 1.09 108.657 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 26.4 p-10 -69.57 -49.04 58.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.929 -1.107 . . . . 2.89 110.121 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 72.9 mm-40 -89.73 -32.64 16.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.918 -1.114 . . . . 3.15 109.78 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.32 -43.98 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.059 -1.025 . . . . 1.35 109.129 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.97 -46.6 74.14 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.115 -0.991 . . . . 1.4 109.259 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -65.3 -43.82 89.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.264 -0.897 . . . . 4.21 109.956 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -65.26 -43.93 89.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.212 -0.93 . . . . 4.01 110.578 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -62.07 -41.05 97.75 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.419 -0.801 . . . . 1.23 109.121 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.49 -37.56 11.97 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.644 -0.982 . . . . 1.11 110.644 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -64.44 -35.19 80.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.348 . . . . 3.18 108.808 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.3 -24.44 63.28 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.864 -1.161 . . . . 4.48 107.864 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -94.18 12.21 27.39 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.228 -0.656 . . . . 3.03 109.228 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 62.62 24.73 14.73 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 109.159 -0.682 . . . . 3.8 109.159 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 73' ' ' LYS . 35.0 mtmm -140.25 71.57 33.22 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.326 -0.858 . . . . 2.86 108.906 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -69.5 2.5 3.33 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.864 1.71 . . . . 3.55 109.168 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 71' ' ' LYS . 51.7 mtpt -91.0 -0.53 57.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 5.62 109.864 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mmt -81.62 124.56 29.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.2 -0.938 . . . . 2.66 110.218 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -72.49 177.3 4.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.575 -0.703 . . . . 1.68 110.227 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -64.05 -15.73 60.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.938 . . . . 1.51 109.556 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.76 -37.06 77.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.996 -1.065 . . . . 2.53 111.218 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -58.32 -29.26 65.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.424 -1.422 . . . . 4.61 109.425 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.96 -42.0 73.75 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.063 -1.023 . . . . 1.76 108.795 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.2 p -59.93 -45.23 93.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.108 . . . . 1.86 109.734 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -64.99 -39.9 94.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.236 -0.915 . . . . 5.47 109.999 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.55 -45.22 6.96 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.963 -1.113 . . . . 0.85 110.763 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.04 -40.45 96.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.092 -1.24 . . . . 2.17 110.22 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.623 ' C ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -56.96 -41.88 79.11 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.084 -1.635 . . . . 2.92 110.781 -178.171 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.408 ' H ' ' HG3' ' A' ' 84' ' ' ARG . 82.2 t80 -75.94 -6.99 53.5 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.759 -1.213 . . . . 1.64 110.087 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -76.34 6.04 6.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.179 -0.951 . . . . 1.27 112.08 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 15.7 m-85 -82.59 23.57 0.78 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.022 -1.674 . . . . 2.28 108.951 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.82 -41.06 68.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.156 -0.965 . . . . 2.74 108.964 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -107.52 142.41 37.45 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.83 -1.174 . . . . 3.0 107.83 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 23.3 p-10 -78.02 87.42 4.17 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.229 1.014 . . . . 3.23 109.628 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -137.32 -43.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.82 -1.178 . . . . 1.93 107.82 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.443 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 4.1 tt -140.13 133.84 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 1.67 109.204 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.502 ' NE2' ' CG1' ' A' ' 105' ' ' VAL . 4.8 p80 -137.71 155.95 48.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.463 -0.773 . . . . 2.31 109.556 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -71.25 143.96 50.21 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.695 -0.628 . . . . 3.29 110.033 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 97' ' ' GLY . 56.3 m -88.34 142.61 27.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 1.62 108.733 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.12 7.65 0.93 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.446 -0.783 . . . . 2.87 110.87 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -78.2 -98.52 0.22 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.005 -1.638 . . . . 2.32 109.005 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.434 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 18.7 mmmt -105.16 -178.82 3.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.604 -0.939 . . . . 3.99 109.457 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -85.1 -8.42 58.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.942 . . . . 6.26 109.24 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -105.12 -0.14 26.89 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.357 -0.839 . . . . 1.66 111.081 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.434 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 2.6 m -89.56 124.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.762 -1.211 . . . . 1.63 110.094 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -112.85 150.09 32.2 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.587 -0.894 . . . . 1.6 108.587 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -147.67 156.86 43.21 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.312 -0.867 . . . . 3.34 108.886 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 22.3 m-85 -130.23 161.59 30.85 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.49 0.662 . . . . 1.21 109.829 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.502 ' CG1' ' NE2' ' A' ' 93' ' ' HIS . 15.6 m . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 117.832 -1.08 . . . . 2.56 110.048 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.45 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.2 tt . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 107.755 -1.202 . . . . 3.17 107.755 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.541 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 7.1 tm0? -78.75 151.8 31.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.646 -1.283 . . . . 1.99 108.363 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.541 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 11.9 tp -62.47 -66.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.912 -1.118 . . . . 2.17 111.21 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 48.0 p-90 -60.15 -35.71 75.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.18 . . . . 1.28 110.981 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.64 -40.2 86.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.396 -1.44 . . . . 2.89 107.429 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -68.92 -47.53 65.51 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.04 -1.096 . . . . 0.95 108.04 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -60.38 -45.16 94.53 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.326 -0.99 . . . . 2.08 108.326 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -52.76 64.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 2.46 109.432 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.9 -46.96 87.66 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.914 -1.143 . . . . 2.46 107.914 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -42.32 96.43 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.145 -1.057 . . . . 2.1 108.145 178.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.0 tt -45.78 -52.78 10.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.294 -0.879 . . . . 1.97 109.71 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -131.11 72.66 1.51 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.968 -1.082 . . . . 2.13 111.518 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 21.2 p-10 -109.26 -51.27 2.9 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.234 -0.916 . . . . 3.08 109.484 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 42.8 pttt -104.91 -160.77 0.78 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.846 -0.798 . . . . 3.68 108.846 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -66.83 -36.22 81.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.07 -1.019 . . . . 2.78 108.909 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 57.9 m 53.44 27.11 6.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 2.54 110.646 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.58 -48.0 5.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.013 -1.054 . . . . 3.73 110.425 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -77.62 -11.84 59.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.437 -0.789 . . . . 2.79 111.361 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -109.61 -12.47 14.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.079 -1.013 . . . . 1.84 109.636 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.563 ' CG1' ' H ' ' A' ' 45' ' ' SER . 7.5 tt -166.41 -176.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.194 -0.941 . . . . 1.68 109.721 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.563 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 31.4 t -113.9 110.53 20.25 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.28 -0.888 . . . . 2.19 111.131 -179.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.89 104.37 11.55 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 106.899 -1.519 . . . . 1.46 106.899 178.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -76.79 146.49 37.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.546 -1.346 . . . . 2.47 110.144 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.69 66.52 1.38 Allowed Glycine 0 N--CA 1.496 2.692 0 N-CA-C 109.707 -1.357 . . . . 2.13 109.707 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -122.92 -124.64 0.26 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.453 -1.028 . . . . 3.56 109.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.9 -81.9 0.75 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.548 -1.821 . . . . 1.46 108.548 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -159.89 76.46 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -1.157 . . . . 1.22 108.958 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -125.64 135.46 52.17 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.785 -1.191 . . . . 2.5 107.785 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -126.98 131.92 50.93 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.731 -0.606 . . . . 0.89 109.718 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -124.57 132.85 53.43 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.52 -0.737 . . . . 2.82 109.868 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mp -92.38 108.65 20.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.326 -0.858 . . . . 1.9 110.943 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.8 t -83.14 -67.7 0.77 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 1.97 109.817 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' ASP . 74.4 m-20 -143.75 71.13 17.19 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.373 -0.829 . . . . 2.54 110.562 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -65.15 50.67 0.21 Allowed 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.375 1.383 . . . . 1.09 109.33 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t0 -67.32 -39.44 85.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.903 -1.123 . . . . 2.89 109.288 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -73.75 -36.47 65.13 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.361 -0.837 . . . . 3.15 108.792 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.18 -37.76 78.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.735 -0.603 . . . . 1.35 110.093 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.33 90.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.737 -1.227 . . . . 1.4 109.206 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 -60.3 -45.45 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.343 -0.848 . . . . 4.21 109.049 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.44 HH11 ' HG2' ' A' ' 64' ' ' ARG . 25.4 mtt-85 -61.62 -40.25 94.17 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.146 -0.971 . . . . 4.01 109.74 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -64.49 -35.48 81.08 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.591 0.71 . . . . 1.23 109.692 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.35 -33.22 9.58 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.694 -0.765 . . . . 1.11 111.249 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.76 -41.05 94.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.671 -1.487 . . . . 3.18 110.261 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.96 -33.1 72.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.811 -1.181 . . . . 4.48 109.53 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -92.92 1.36 57.34 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.241 -0.912 . . . . 3.03 109.118 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 54.96 46.9 23.38 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 112.63 0.604 . . . . 3.8 112.63 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -95.39 159.49 32.65 Favored Pre-proline 0 N--CA 1.505 2.319 0 O-C-N 120.699 -1.251 . . . . 2.86 108.242 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -63.16 -61.15 0.14 Allowed 'Trans proline' 0 N--CA 1.48 0.71 0 C-N-CA 121.155 1.236 . . . . 3.55 109.468 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -134.01 145.29 49.33 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.348 -0.982 . . . . 5.62 108.348 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 30.4 ttm -126.59 99.76 5.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.267 -0.896 . . . . 2.66 109.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' ASN . 25.9 p30 -70.54 159.1 34.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.228 -0.92 . . . . 1.68 109.393 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.55 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 t80 -69.43 -21.43 63.74 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.365 -0.834 . . . . 1.51 109.208 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.556 ' OE2' ' NH2' ' A' ' 81' ' ' ARG . 57.3 tt0 -59.71 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.519 -0.738 . . . . 2.53 109.98 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.72 -39.55 68.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 4.61 110.07 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.45 -43.23 81.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.043 -1.036 . . . . 1.76 109.856 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 m -63.88 -45.09 90.97 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.24 . . . . 1.86 108.025 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.556 ' NH2' ' OE2' ' A' ' 77' ' ' GLU . 85.6 mtt180 -68.63 -46.23 69.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.44 -0.788 . . . . 5.47 110.648 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -51.68 12.06 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.036 -1.078 . . . . 0.85 111.595 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.42 -30.98 69.97 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.958 -1.319 . . . . 2.17 110.855 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -52.7 -49.95 64.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.593 -1.317 . . . . 2.92 108.843 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.28 -12.15 8.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.455 -0.778 . . . . 1.64 110.584 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.53 ' C ' ' H ' ' A' ' 88' ' ' ASP . 2.6 t80 -72.3 2.31 6.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.101 -0.999 . . . . 1.27 110.427 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.71 6.08 0.38 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.48 -1.388 . . . . 2.28 109.182 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 86' ' ' TYR . 83.3 m-20 -69.5 -41.29 76.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.149 -1.056 . . . . 2.74 108.149 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.519 ' HZ3' ' NE2' ' A' ' 26' ' ' GLN . 49.2 mtmt -108.48 132.05 54.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.386 -1.339 . . . . 3.0 107.386 178.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.616 ' N ' HD21 ' A' ' 90' ' ' ASN . 0.0 OUTLIER -81.33 87.18 6.16 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.697 -1.252 . . . . 3.23 108.205 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -135.39 -49.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.695 -0.854 . . . . 1.93 108.695 -179.358 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.485 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -129.61 111.59 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.386 -0.968 . . . . 1.67 108.386 178.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -106.16 153.82 21.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.654 -0.654 . . . . 2.31 109.255 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -84.74 131.7 34.53 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.612 -1.255 . . . . 3.29 107.612 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.7 m -87.56 132.24 34.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.18 -0.95 . . . . 1.62 110.177 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.37 51.38 1.81 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.349 -0.845 . . . . 2.87 108.892 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.96 -84.68 0.84 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.715 -1.754 . . . . 2.32 108.715 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.475 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 82.2 tttt -120.75 -64.36 1.25 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.597 -0.943 . . . . 3.99 108.894 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -171.9 -38.84 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.065 -1.022 . . . . 6.26 110.797 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -103.42 25.34 9.73 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.041 -1.037 . . . . 1.66 108.283 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 1.8 t -92.55 119.19 39.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.742 0.782 . . . . 1.63 109.992 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 13.8 m-85 -116.59 151.86 35.36 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.11 -0.7 . . . . 1.6 109.11 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -154.05 156.23 36.94 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.802 -0.814 . . . . 3.34 108.802 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -120.71 152.75 37.85 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.707 -0.62 . . . . 1.21 109.585 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.881 -1.057 . . . . 2.56 109.309 -179.253 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.0 tp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.468 -0.567 . . . . 3.17 109.468 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 3.6 tm0? -88.9 153.72 20.82 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.976 -1.077 . . . . 1.99 108.91 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.566 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 9.8 tt -56.54 -56.53 20.16 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.755 -1.215 . . . . 2.17 112.242 -178.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.501 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 59.1 p-90 -74.54 -31.14 62.02 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.366 -1.459 . . . . 1.28 110.884 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.85 -39.87 86.66 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.401 -1.333 . . . . 2.89 107.401 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -65.32 -56.36 13.1 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.482 -0.933 . . . . 0.95 108.482 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.9 -43.94 94.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.678 -0.639 . . . . 2.08 110.01 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -44.17 97.17 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.792 -1.193 . . . . 2.46 109.274 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -64.97 -44.25 89.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.803 -1.185 . . . . 2.46 108.223 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -42.66 94.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.316 -1.365 . . . . 2.1 107.316 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.31 -40.01 47.37 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.575 -0.703 . . . . 1.97 109.864 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -108.07 50.29 0.78 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.278 -0.889 . . . . 2.13 110.339 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -107.46 -115.3 0.27 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.139 -0.975 . . . . 3.08 109.67 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.556 ' NZ ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pttt -64.6 -171.63 0.06 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.219 -0.926 . . . . 3.68 110.091 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.509 ' C ' ' H ' ' A' ' 41' ' ' GLN . 32.8 t -69.14 -44.28 72.64 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.706 -0.85 . . . . 2.78 108.706 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ILE . 5.0 t 59.24 1.3 0.22 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.488 -0.757 . . . . 2.54 109.902 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' A' ' 39' ' ' SER . 24.8 mt-30 -59.84 -40.25 87.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.981 . . . . 3.73 110.192 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 43' ' ' PHE . 82.7 p -79.51 -10.89 59.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 2.79 109.684 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' NZ ' ' A' ' 38' ' ' LYS . 87.6 m-85 -111.47 -15.21 13.59 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.54 -0.725 . . . . 1.84 109.832 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.9 tt -164.31 -178.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.347 -0.941 . . . . 1.68 109.422 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 t -113.54 111.29 21.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.168 -0.957 . . . . 2.19 110.324 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 109.88 19.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 106.283 -1.747 . . . . 1.46 106.283 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -55.87 142.77 33.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.59 -1.319 . . . . 2.47 109.608 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.35 17.73 55.04 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.166 -1.573 . . . . 2.13 109.166 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -109.15 -106.52 0.35 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.43 -1.041 . . . . 3.56 110.977 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -110.41 0.32 Allowed Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.099 -1.601 . . . . 1.46 109.099 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -143.2 100.21 3.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.22 -1.165 . . . . 1.22 110.497 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -147.83 131.86 17.24 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.504 -1.295 . . . . 2.5 107.504 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -123.17 127.02 48.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.511 -0.743 . . . . 0.89 110.109 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -124.92 132.4 53.3 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.434 -0.791 . . . . 2.82 108.884 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 7.8 mp -89.51 90.4 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.124 -0.985 . . . . 1.9 109.427 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -71.22 -48.47 51.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 1.97 109.67 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 43' ' ' PHE . 20.7 p-10 -148.53 79.98 8.55 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.212 -0.93 . . . . 2.54 111.185 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -76.8 50.48 3.06 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 120.92 1.08 . . . . 1.09 109.828 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 40.5 p-10 -68.46 -42.94 78.06 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.405 -1.434 . . . . 2.89 110.58 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 10.2 tp10 -80.5 -40.54 25.9 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.624 -1.297 . . . . 3.15 109.658 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.57 -44.43 93.84 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.438 -0.789 . . . . 1.35 110.148 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.7 54.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.041 -1.037 . . . . 1.4 109.659 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.74 -42.23 95.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.144 -0.972 . . . . 4.21 109.262 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 64' ' ' ARG . 24.9 ttt-85 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 4.01 109.093 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -52.09 -36.31 50.5 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.235 -0.916 . . . . 1.23 108.975 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -86.68 -22.41 46.77 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.156 -1.021 . . . . 1.11 110.988 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -63.39 -35.63 81.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.563 -1.551 . . . . 3.18 110.247 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -55.15 -40.09 70.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.885 -1.134 . . . . 4.48 108.551 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -103.05 20.81 16.88 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.73 -0.841 . . . . 3.03 108.73 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.12 57.51 4.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.503 -0.748 . . . . 3.8 110.367 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 66' ' ' GLY . 41.5 mmtm -137.06 68.49 56.68 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 121.008 -1.058 . . . . 2.86 109.75 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -67.72 -5.2 13.74 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.182 1.254 . . . . 3.55 109.531 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -93.66 -0.93 55.86 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.15 -0.969 . . . . 5.62 110.385 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.7 mmt -85.68 106.77 17.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.868 -1.145 . . . . 2.66 110.335 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -71.49 -178.4 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.133 0.968 . . . . 1.68 110.904 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.477 ' OH ' ' OH ' ' A' ' 102' ' ' TYR . 82.5 t80 -58.15 -29.04 65.26 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.794 -0.639 . . . . 1.51 109.483 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -59.15 -30.09 67.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.094 -1.004 . . . . 2.53 109.033 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -55.2 -40.4 70.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.688 -1.227 . . . . 4.61 107.688 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.09 -40.81 82.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.465 -0.772 . . . . 1.76 109.52 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -62.25 -49.54 75.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.71 -1.244 . . . . 1.86 109.606 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.603 ' CG ' HH11 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.68 -42.14 82.57 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.196 -1.001 . . . . 5.47 108.829 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.03 -52.44 23.62 Favored Glycine 0 N--CA 1.496 2.669 0 C-N-CA 120.162 -1.018 . . . . 0.85 110.887 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.5 tp -67.77 -33.63 75.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.924 -1.339 . . . . 2.17 110.468 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.543 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.2 tmt_? -58.27 -50.89 72.0 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.165 -0.96 . . . . 2.92 110.138 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -71.54 -16.69 62.33 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.006 -1.059 . . . . 1.64 109.095 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 26.7 t80 -73.29 7.1 2.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.635 -0.665 . . . . 1.27 112.454 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.543 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 37.9 m-85 -78.93 20.75 0.45 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.042 -1.661 . . . . 2.28 108.574 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 86' ' ' TYR . 84.4 m-20 -72.19 -34.06 68.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.355 -0.84 . . . . 2.74 109.229 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -103.76 140.68 37.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.926 -1.139 . . . . 3.0 107.926 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.409 ' ND2' ' NE2' ' A' ' 93' ' ' HIS . 1.1 t-20 -76.27 92.54 3.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.866 -1.146 . . . . 3.23 108.084 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.638 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -142.19 -87.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.827 -0.624 . . . . 1.93 109.586 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.638 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 19.9 tt -94.93 127.9 46.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.966 -1.084 . . . . 1.67 110.343 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.409 ' NE2' ' ND2' ' A' ' 90' ' ' ASN . 55.9 m-70 -128.37 138.23 52.26 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.317 -0.994 . . . . 2.31 108.317 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -72.22 156.11 39.5 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.815 -1.178 . . . . 3.29 109.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 97' ' ' GLY . 89.3 m -89.82 137.47 32.31 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.205 -0.934 . . . . 1.62 108.673 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.44 10.53 0.46 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 2.87 110.757 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -79.83 -89.08 0.5 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.377 -1.489 . . . . 2.32 109.377 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -107.94 178.4 4.53 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.329 -1.101 . . . . 3.99 108.354 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -89.34 -9.41 50.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.662 -1.274 . . . . 6.26 109.582 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -99.95 2.58 43.72 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.128 -0.982 . . . . 1.66 110.411 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 m -94.21 125.58 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.711 -1.243 . . . . 1.63 110.273 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.477 ' OH ' ' OH ' ' A' ' 76' ' ' TYR . 7.9 m-85 -112.35 150.08 31.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.63 -0.878 . . . . 1.6 108.63 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.9 ttt-85 -149.02 158.19 43.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.068 -1.02 . . . . 3.34 109.979 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -128.03 159.56 34.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.526 -0.733 . . . . 1.21 109.558 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 118.049 -0.977 . . . . 2.56 109.367 179.721 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 pt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.48 0.657 . . . . 3.17 110.386 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.57 ' NE2' ' OH ' ' A' ' 86' ' ' TYR . 1.8 tm0? -90.63 145.44 24.84 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.495 -1.298 . . . . 1.99 107.495 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.474 ' N ' ' CD ' ' A' ' 26' ' ' GLN . 1.2 tm? -56.33 -59.49 4.88 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.743 -1.223 . . . . 2.17 111.501 -177.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.555 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.0 p-90 -72.3 -36.91 69.04 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.741 -1.224 . . . . 1.28 113.054 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -58.71 -38.21 77.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 117.677 -1.609 . . . . 2.89 108.181 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.95 -45.96 66.31 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.376 -0.827 . . . . 0.95 110.515 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 tp -67.47 -43.7 80.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.897 -1.127 . . . . 2.08 110.218 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.37 -46.71 88.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 2.46 109.163 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.09 -40.08 94.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.702 -1.249 . . . . 2.46 108.529 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.55 -28.44 69.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 2.1 109.802 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 4.8 mp -60.04 -41.37 92.13 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.527 -1.358 . . . . 1.97 108.397 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.1 p -109.42 61.16 0.6 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.272 -0.893 . . . . 2.13 110.676 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 -104.31 0.21 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.01 -1.056 . . . . 3.08 109.933 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 174.38 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.444 -0.785 . . . . 3.68 110.32 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -74.48 114.95 13.46 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.661 0.743 . . . . 2.78 109.05 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.1 m -80.63 6.67 12.02 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 122.003 0.906 . . . . 2.54 109.157 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -98.28 61.61 1.45 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.3 -0.875 . . . . 3.73 110.447 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 78.7 p -159.86 -55.9 0.06 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.975 -1.078 . . . . 2.79 109.264 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 1.1 m-85 -124.07 19.24 9.18 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.786 -0.82 . . . . 1.84 108.786 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.534 ' CG1' ' H ' ' A' ' 45' ' ' SER . 8.0 tt -163.86 179.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.217 -0.993 . . . . 1.68 110.428 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.534 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 23.2 t -138.16 129.97 28.26 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.073 -1.017 . . . . 2.19 111.349 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.4 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.49 105.86 12.95 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 106.66 -1.607 . . . . 1.46 106.66 178.775 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 52' ' ' GLU . 10.7 t -63.3 141.98 58.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.494 -1.379 . . . . 2.47 109.526 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.29 30.92 9.17 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.037 -1.225 . . . . 2.13 110.037 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -120.87 -94.36 0.5 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.37 -1.076 . . . . 3.56 110.423 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.4 -108.84 0.52 Allowed Glycine 0 N--CA 1.484 1.868 0 N-CA-C 109.594 -1.402 . . . . 1.46 109.594 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.456 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 56.3 t-105 -151.09 49.37 0.84 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 1.22 109.64 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' H ' HG23 ' A' ' 47' ' ' THR . 94.5 mt-10 -99.16 108.24 20.79 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.948 -1.095 . . . . 2.5 108.45 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -107.94 130.38 55.04 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.543 -0.91 . . . . 0.89 108.543 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -138.71 138.18 37.48 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.03 -1.044 . . . . 2.82 110.739 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.24 94.96 9.81 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.833 -0.803 . . . . 1.9 108.833 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -72.56 -43.0 64.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.973 -1.079 . . . . 1.97 110.097 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -132.11 71.32 80.01 Favored Pre-proline 0 N--CA 1.503 2.218 0 O-C-N 121.305 -0.872 . . . . 2.54 109.346 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.38 46.24 0.35 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.343 1.362 . . . . 1.09 109.886 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.35 -43.02 74.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.635 -1.291 . . . . 2.89 108.928 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -86.47 -33.84 20.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.823 . . . . 3.15 109.792 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.66 -45.25 85.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 119.498 -0.881 . . . . 1.35 109.59 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.54 92.11 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.243 -0.911 . . . . 1.4 109.924 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -68.41 -41.99 79.63 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.613 -0.679 . . . . 4.21 109.678 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.519 HH11 ' HG2' ' A' ' 64' ' ' ARG . 12.7 ttt-85 -65.74 -39.67 91.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 4.01 109.808 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -55.24 -44.39 75.46 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.196 -0.94 . . . . 1.23 109.502 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.76 -15.86 64.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.566 -1.014 . . . . 1.11 110.566 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.28 -43.04 92.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.099 -1.236 . . . . 3.18 109.994 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.04 -18.22 65.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.772 -1.205 . . . . 4.48 109.062 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -92.93 6.21 48.61 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.19 -0.67 . . . . 3.03 109.19 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.2 m120 57.94 40.61 25.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.386 0.612 . . . . 3.8 109.898 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -111.23 149.17 40.15 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 107.773 -1.195 . . . . 2.86 107.773 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.2 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.869 0 N-CA-C 109.161 -1.13 . . . . 3.55 109.161 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -135.11 143.97 46.88 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.57 -0.9 . . . . 5.62 108.57 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.1 mtp -125.19 140.13 53.13 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.776 -0.824 . . . . 2.66 108.776 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.66 165.04 23.76 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.936 0.874 . . . . 1.68 110.866 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.32 -20.38 66.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.127 -0.694 . . . . 1.51 109.127 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.64 -36.92 77.33 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.439 -0.788 . . . . 2.53 109.908 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -54.97 -40.52 70.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.793 -1.192 . . . . 4.61 109.537 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.48 -43.34 85.69 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.229 -0.92 . . . . 1.76 109.571 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.9 m -59.16 -51.39 70.21 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.825 -1.172 . . . . 1.86 109.779 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.52 ' NH1' HH21 ' A' ' 84' ' ' ARG . 8.8 tpm_? -69.39 -41.18 76.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 5.47 109.986 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.92 23.21 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 119.594 -1.289 . . . . 0.85 110.93 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 86' ' ' TYR . 5.2 tt -67.03 -44.37 80.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.873 -1.369 . . . . 2.17 110.703 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 mtp180 -58.44 -50.56 73.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.16 -1.588 . . . . 2.92 108.863 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 40.3 t80 -53.71 -14.88 1.01 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.535 -1.353 . . . . 1.64 108.663 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.57 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.5 t80 -76.01 6.32 5.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.291 -0.881 . . . . 1.27 110.568 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 54.4 m-85 -68.89 8.4 0.53 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 2.28 109.125 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 86' ' ' TYR . 90.2 m-20 -74.33 -35.05 63.61 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.086 -1.046 . . . . 2.74 108.569 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -109.17 130.75 55.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.96 -1.126 . . . . 3.0 107.96 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -80.08 86.49 5.53 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.816 -1.177 . . . . 3.23 107.955 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.31 -42.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 108.278 -1.008 . . . . 1.93 108.278 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.439 ' CD1' ' CZ ' ' A' ' 104' ' ' PHE . 7.1 tt -137.45 127.57 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.732 -1.23 . . . . 1.67 110.442 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' A' ' 103' ' ' ARG . 14.4 m-70 -126.46 151.18 48.11 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 108.019 -1.104 . . . . 2.31 108.019 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -90.61 147.82 23.07 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.811 -1.181 . . . . 3.29 110.729 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.464 ' C ' ' H ' ' A' ' 97' ' ' GLY . 52.7 m -91.66 127.48 37.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.425 -0.797 . . . . 1.62 109.029 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.21 37.27 0.16 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.082 -1.011 . . . . 2.87 109.031 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -76.95 -78.94 0.71 Allowed Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.846 -1.302 . . . . 2.32 109.846 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -108.1 -111.77 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -1.184 . . . . 3.99 108.574 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -134.93 -30.53 1.06 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.484 -1.385 . . . . 6.26 110.156 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -107.27 20.71 18.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.655 -0.653 . . . . 1.66 109.863 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.89 131.79 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.887 -1.133 . . . . 1.63 111.103 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -122.1 155.94 34.64 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.69 -0.856 . . . . 1.6 108.69 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 93' ' ' HIS . 31.4 ttt-85 -153.06 153.09 32.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.296 -0.878 . . . . 3.34 108.976 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 21.9 m-85 -120.73 147.68 44.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.403 -0.811 . . . . 1.21 109.98 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.096 -0.954 . . . . 2.56 109.509 -179.115 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.131 -0.692 . . . . 3.17 109.131 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.587 ' OE1' ' NE1' ' A' ' 28' ' ' TRP . 45.7 tt0 -90.23 131.51 36.01 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.011 -1.107 . . . . 1.99 108.011 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.53 -38.85 62.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.9 -1.125 . . . . 2.17 112.426 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.587 ' NE1' ' OE1' ' A' ' 26' ' ' GLN . 6.4 p-90 -69.0 -42.97 75.74 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.787 -1.821 . . . . 1.28 110.297 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 13.4 tt0 -58.7 -45.35 89.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.519 -1.363 . . . . 2.89 107.454 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -64.97 -49.84 68.71 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.385 0.612 . . . . 0.95 109.864 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.24 -44.71 78.77 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.427 -0.795 . . . . 2.08 111.154 -178.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.17 -44.22 96.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.497 -1.377 . . . . 2.46 109.649 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -59.71 -49.29 78.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 2.46 108.722 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.06 -30.55 70.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.551 -0.718 . . . . 2.1 109.141 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 8.2 tt -51.63 -40.78 60.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.136 -0.978 . . . . 1.97 109.688 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -131.35 64.45 1.58 Allowed 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.398 -0.814 . . . . 2.13 111.143 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 38' ' ' LYS . 57.3 t0 -135.46 -60.74 0.75 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.832 -1.167 . . . . 3.08 109.773 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.7 ' NZ ' ' H ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -59.94 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.3 -0.875 . . . . 3.68 109.063 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 70.9 m -69.54 -90.04 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.287 -0.883 . . . . 2.78 109.156 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER 160.52 -65.98 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.747 -0.834 . . . . 2.54 108.747 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.72 -9.72 58.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.745 -0.597 . . . . 3.73 111.079 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 t -70.77 -42.99 69.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.886 -1.134 . . . . 2.79 109.788 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.7 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 88.0 m-85 -131.38 3.88 4.29 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.234 -0.916 . . . . 1.84 111.429 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.601 ' CG1' ' H ' ' A' ' 45' ' ' SER . 4.6 tt -165.03 -168.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 119.998 -1.689 . . . . 1.68 110.736 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.601 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 52.8 m -128.8 114.08 16.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.078 -1.014 . . . . 2.19 109.499 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.42 108.29 19.57 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 107.377 -1.342 . . . . 1.46 107.377 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -56.1 146.88 21.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.177 -0.952 . . . . 2.47 109.649 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.65 48.52 0.95 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.511 -1.436 . . . . 2.13 109.511 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -126.19 -108.63 0.31 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.394 -1.062 . . . . 3.56 109.077 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.8 -103.87 0.72 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 108.857 -1.697 . . . . 1.46 108.857 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -139.08 87.97 2.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -1.053 . . . . 1.22 109.158 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -137.33 129.09 28.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.839 -1.171 . . . . 2.5 107.839 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -118.67 126.22 51.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.382 -0.824 . . . . 0.89 109.397 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -116.73 128.31 55.2 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.502 -0.749 . . . . 2.82 109.749 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.62 99.68 12.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.433 -0.792 . . . . 1.9 110.235 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.4 m -80.32 -62.38 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.658 -0.652 . . . . 1.97 110.349 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 59' ' ' ASP . 57.4 p-10 -142.83 61.29 10.62 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 120.956 -1.09 . . . . 2.54 112.61 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 57' ' ' ASP . 3.9 Cg_exo -62.6 62.23 0.14 Allowed 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 121.424 1.416 . . . . 1.09 109.589 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 57' ' ' ASP . 94.4 m-20 -71.33 -43.54 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 2.89 109.86 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -77.0 -29.37 55.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 3.15 109.485 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.3 t -66.32 -48.58 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 119.804 -0.758 . . . . 1.35 109.856 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.31 80.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.105 -0.997 . . . . 1.4 109.918 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -60.77 -44.02 97.31 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.12 -0.987 . . . . 4.21 108.99 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 64' ' ' ARG . 16.9 ttt-85 -67.76 -35.56 78.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.395 -0.816 . . . . 4.01 109.205 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -53.52 -43.04 68.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.793 -0.818 . . . . 1.23 108.793 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' ASN . . . -91.0 -17.03 53.08 Favored Glycine 0 N--CA 1.496 2.686 0 C-N-CA 120.47 -0.871 . . . . 1.11 110.926 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -60.2 -44.15 95.36 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.708 -1.466 . . . . 3.18 107.792 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.403 ' NE ' HH12 ' A' ' 64' ' ' ARG . 3.4 mtt-85 -59.92 -35.22 74.43 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.517 -0.919 . . . . 4.48 108.517 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -96.11 9.22 41.57 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 3.03 109.445 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' GLY . 97.9 m-20 57.48 49.89 12.1 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.347 0.594 . . . . 3.8 110.026 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -137.86 69.84 50.68 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.564 -0.71 . . . . 2.86 109.498 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -57.51 -10.5 6.94 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 120.945 1.097 . . . . 3.55 110.232 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -103.74 27.21 7.71 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.203 -0.936 . . . . 5.62 109.349 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.7 tpp -68.13 121.43 16.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.274 -0.891 . . . . 2.66 109.981 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 36.2 t-20 -74.56 145.37 43.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.334 -0.853 . . . . 1.68 111.585 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 64.9 t80 -68.58 -39.05 81.15 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.637 0.732 . . . . 1.51 109.228 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.54 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 9.1 pt-20 -61.46 -32.12 72.1 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.261 -1.015 . . . . 2.53 108.261 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -50.56 -38.33 44.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.115 -0.99 . . . . 4.61 108.412 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.92 -36.31 79.96 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.061 -1.088 . . . . 1.76 108.061 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -58.94 -40.74 85.54 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.945 -1.102 . . . . 1.86 108.291 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -69.34 -35.51 75.97 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.985 -1.117 . . . . 5.47 107.985 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.17 -53.08 8.04 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.809 -1.316 . . . . 0.85 109.809 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.65 -20.59 61.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.173 -1.193 . . . . 2.17 109.408 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.44 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 16.5 ttp180 -62.25 -52.1 65.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 2.92 109.207 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -87.29 -9.71 54.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.731 -0.606 . . . . 1.64 110.343 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.531 ' C ' ' H ' ' A' ' 88' ' ' ASP . 19.2 t80 -72.67 2.23 6.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.013 -1.054 . . . . 1.27 111.291 -177.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 40.5 m-85 -78.11 20.95 0.35 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.354 -1.466 . . . . 2.28 108.002 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 86' ' ' TYR . 97.9 m-20 -68.14 -39.9 82.58 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.354 -0.98 . . . . 2.74 108.354 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -103.99 141.34 36.36 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.717 -1.586 . . . . 3.0 106.717 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -76.44 91.13 3.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.77 -1.206 . . . . 3.23 108.526 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 tp -137.42 -62.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.972 -0.455 . . . . 1.93 110.758 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.54 124.77 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.136 -0.977 . . . . 1.67 112.283 -178.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -115.77 131.57 56.9 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.852 -0.795 . . . . 2.31 108.852 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -68.71 142.67 54.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.707 -0.62 . . . . 3.29 110.284 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.449 ' C ' ' H ' ' A' ' 97' ' ' GLY . 91.2 m -91.73 135.65 33.74 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.309 -0.87 . . . . 1.62 110.374 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.52 30.55 0.29 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 2.87 108.922 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -77.8 -90.33 0.33 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.441 -1.464 . . . . 2.32 109.441 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -114.26 -123.62 0.29 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.313 -1.11 . . . . 3.99 109.727 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -116.17 -29.51 6.25 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.088 -1.007 . . . . 6.26 111.529 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -106.97 17.54 22.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.997 -1.065 . . . . 1.66 112.239 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.62 128.91 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 120.529 -1.357 . . . . 1.63 111.469 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -119.55 160.01 23.24 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.54 -1.281 . . . . 1.6 107.54 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -146.71 142.78 28.18 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.082 -1.011 . . . . 3.34 108.893 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.46 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 29.0 m-85 -118.0 136.27 53.63 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.685 -0.858 . . . . 1.21 108.685 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.975 -1.012 . . . . 2.56 109.95 -178.078 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 pt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.308 0.575 . . . . 3.17 110.311 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.555 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 9.2 tm0? -85.31 156.56 20.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.76 . . . . 1.99 109.639 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.54 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 1.8 tm? -61.38 -54.32 45.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.391 -0.818 . . . . 2.17 111.765 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.555 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.9 p-90 -78.88 -37.9 38.98 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.526 -1.359 . . . . 1.28 112.357 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -55.78 -37.73 68.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.526 -1.657 . . . . 2.89 106.526 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -67.26 -55.62 13.23 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.605 0.717 . . . . 0.95 109.153 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.62 -44.57 90.11 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.505 -0.747 . . . . 2.08 110.233 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.12 -48.91 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.823 -1.173 . . . . 2.46 110.24 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 87.4 tt0 -61.44 -43.77 98.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.854 -1.153 . . . . 2.46 108.553 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.27 -30.06 70.89 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.666 0.746 . . . . 2.1 109.053 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.534 ' CD2' ' HE1' ' A' ' 51' ' ' TRP . 9.4 tp -54.53 -46.81 73.64 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.529 -0.732 . . . . 1.97 109.59 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 p -99.93 48.68 0.93 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.193 -0.942 . . . . 2.13 110.295 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 33' ' ' GLU . 77.5 m-20 -132.21 -114.69 0.23 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.399 -0.813 . . . . 3.08 110.161 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.491 ' CE ' ' H ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -57.8 143.89 40.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.78 -1.193 . . . . 3.68 107.78 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.491 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 66.2 m -67.63 -43.48 80.24 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.389 -1.444 . . . . 2.78 111.318 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 84.7 m 51.49 16.21 0.41 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.177 -0.952 . . . . 2.54 109.164 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 44' ' ' ILE . 39.0 tt0 -59.93 -37.03 78.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.581 -0.699 . . . . 3.73 111.91 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -73.97 -10.49 59.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.329 -1.482 . . . . 2.79 110.074 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -122.87 7.7 9.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.993 -1.114 . . . . 1.84 107.993 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 41' ' ' GLN . 1.6 tt -165.93 176.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.384 -0.969 . . . . 1.68 108.384 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t -115.04 116.29 28.21 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.921 -1.112 . . . . 2.19 110.49 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.51 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.37 101.53 9.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.137 -1.431 . . . . 1.46 107.137 179.007 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 p -67.69 152.26 45.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.637 -1.289 . . . . 2.47 108.802 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 37.8 3.61 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.035 -1.626 . . . . 2.13 109.035 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -116.39 -105.46 0.4 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.537 -0.978 . . . . 3.56 109.482 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.56 -106.24 0.61 Allowed Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.261 -1.535 . . . . 1.46 109.261 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.534 ' HE1' ' CD2' ' A' ' 35' ' ' LEU . 4.2 t-105 -140.11 69.48 1.36 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.255 -1.144 . . . . 1.22 109.148 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -113.09 121.96 46.12 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.32 -0.863 . . . . 2.5 109.039 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -130.6 135.07 47.52 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.333 -0.854 . . . . 0.89 109.312 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -129.59 130.41 45.64 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.2 -0.937 . . . . 2.82 110.378 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.56 73.39 9.46 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.145 -1.057 . . . . 1.9 108.145 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.556 ' HG ' ' N ' ' A' ' 57' ' ' ASP . 96.6 p -76.37 -46.45 27.35 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.528 -0.733 . . . . 1.97 112.269 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.556 ' N ' ' HG ' ' A' ' 56' ' ' SER . 97.8 m-20 -135.27 68.77 68.98 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.805 -1.185 . . . . 2.54 111.684 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -75.11 67.42 6.02 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 121.694 1.596 . . . . 1.09 109.279 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.05 -49.8 47.57 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.598 -1.314 . . . . 2.89 109.463 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -85.57 -33.95 21.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 3.15 109.288 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.15 -48.35 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.221 -0.925 . . . . 1.35 110.241 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.25 91.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 1.4 109.88 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -62.0 -42.52 99.24 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.788 -1.195 . . . . 4.21 109.678 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -69.78 -40.03 76.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.917 -1.115 . . . . 4.01 110.12 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.459 ' CD1' ' NZ ' ' A' ' 78' ' ' LYS . 11.9 t-105 -53.84 -39.35 65.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.287 -0.883 . . . . 1.23 109.35 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.36 -29.47 30.3 Favored Glycine 0 N--CA 1.488 2.122 0 O-C-N 120.919 -1.113 . . . . 1.11 110.69 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -66.77 -34.27 77.45 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.025 -1.28 . . . . 3.18 111.169 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -61.26 -20.61 63.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.431 -1.418 . . . . 4.48 110.142 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.85 8.11 40.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.96 -1.088 . . . . 3.03 108.368 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 60.73 23.51 13.4 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-O 121.152 0.501 . . . . 3.8 110.529 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.9 mptp? -98.16 160.5 28.14 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.092 -1.077 . . . . 2.86 108.092 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -59.17 -148.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.13 1.22 . . . . 3.55 109.674 178.8 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -92.0 131.97 36.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.596 -1.315 . . . . 5.62 108.554 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.0 mmt -125.33 144.29 50.56 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.624 0.726 . . . . 2.66 110.276 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -66.92 171.35 5.49 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.415 1.103 . . . . 1.68 111.669 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.639 ' HH ' ' HH ' ' A' ' 102' ' ' TYR . 52.1 t80 -70.03 -12.38 61.57 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.619 -0.882 . . . . 1.51 108.619 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -60.05 -32.24 70.73 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.347 -0.846 . . . . 2.53 110.783 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.459 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 21.8 pttp -59.38 -33.35 71.09 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.015 -1.053 . . . . 4.61 108.871 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 83' ' ' LEU . 17.5 mt -67.58 -40.7 84.85 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.53 -0.915 . . . . 1.76 108.53 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -65.5 -41.16 93.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.088 -1.008 . . . . 1.86 109.059 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -72.27 -36.06 68.92 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.183 -0.948 . . . . 5.47 110.68 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.14 -46.86 2.74 Favored Glycine 0 N--CA 1.503 3.105 0 C-N-CA 120.015 -1.088 . . . . 0.85 111.771 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -60.61 -43.11 97.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.709 -1.466 . . . . 2.17 108.331 -179.422 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HB2' ' HZ2' ' A' ' 94' ' ' LYS . 9.3 tmm_? -55.14 -47.29 75.27 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.652 -1.28 . . . . 2.92 110.1 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 89.8 t80 -64.36 -8.91 14.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.969 -1.082 . . . . 1.64 109.41 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.537 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.5 t80 -76.99 10.52 2.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 1.27 110.72 -177.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -76.25 13.38 0.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.704 -1.247 . . . . 2.28 109.237 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 86' ' ' TYR . 38.1 t70 -70.92 -37.55 72.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 2.74 108.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -111.86 140.14 46.76 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.718 -1.215 . . . . 3.0 107.718 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 7.8 p30 -76.76 96.16 4.18 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.243 -1.383 . . . . 3.23 108.288 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.603 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.0 OUTLIER -137.89 -87.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.856 -0.527 . . . . 1.93 109.649 -178.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.603 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -96.12 142.9 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.631 -1.293 . . . . 1.67 109.441 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -131.65 150.17 52.24 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.294 -0.879 . . . . 2.31 109.266 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' HZ2' ' HB2' ' A' ' 84' ' ' ARG . 54.4 mtmt -102.12 133.45 46.94 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.789 0.804 . . . . 3.29 108.92 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.528 ' OG1' ' NE ' ' A' ' 103' ' ' ARG . 99.8 m -89.13 141.22 28.69 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 121.336 -0.852 . . . . 1.62 110.09 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.07 56.71 3.84 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.395 -1.441 . . . . 2.87 107.787 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.61 -100.9 0.39 Allowed Glycine 0 N--CA 1.492 2.42 0 C-N-CA 120.165 -1.017 . . . . 2.32 111.031 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -106.96 -43.62 4.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.518 -0.989 . . . . 3.99 110.211 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -171.79 -64.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.09 -1.044 . . . . 6.26 111.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -104.38 40.16 1.53 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.635 -0.666 . . . . 1.66 111.03 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.5 m -88.06 125.02 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.561 -1.337 . . . . 1.63 109.434 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.639 ' HH ' ' HH ' ' A' ' 76' ' ' TYR . 48.6 m-85 -118.75 150.03 40.48 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.145 -0.972 . . . . 1.6 109.225 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.528 ' NE ' ' OG1' ' A' ' 95' ' ' THR . 38.6 mtm180 -149.42 153.66 37.68 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.1 -0.704 . . . . 3.34 109.1 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 104' ' ' PHE . 23.5 m-85 -126.08 163.38 23.21 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.168 -0.679 . . . . 1.21 109.168 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.313 -0.851 . . . . 2.56 109.588 -179.816 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 pt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.465 0.65 . . . . 3.17 109.692 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.591 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.6 tm0? -87.7 152.06 22.44 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.463 -0.773 . . . . 1.99 108.979 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.591 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.5 tt -52.17 -53.76 39.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.339 -0.851 . . . . 2.17 112.085 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.505 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 64.1 p-90 -77.15 -30.58 55.12 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.202 -1.561 . . . . 1.28 110.259 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -58.18 -43.6 87.57 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.333 -1.358 . . . . 2.89 107.333 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -68.31 -49.22 61.91 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.389 0.614 . . . . 0.95 110.082 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.94 -35.35 80.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.884 -1.135 . . . . 2.08 109.577 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.34 -48.43 70.27 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.831 -1.168 . . . . 2.46 110.563 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -66.81 -37.99 85.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 119.975 -1.703 . . . . 2.46 108.578 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 2.5 tm? -64.78 -39.35 93.45 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.82 0.819 . . . . 2.1 108.968 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -48.58 -43.39 35.8 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.734 -0.604 . . . . 1.97 109.491 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -123.02 69.77 1.0 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.595 -0.691 . . . . 2.13 110.07 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -126.34 -80.61 0.61 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.349 -0.845 . . . . 3.08 110.342 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -73.96 -167.31 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.244 -0.91 . . . . 3.68 110.23 -178.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 47.2 t -61.24 -37.32 82.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.914 -1.117 . . . . 2.78 110.665 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 79.99 -50.48 0.37 Allowed 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.701 0.762 . . . . 2.54 109.398 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.84 -32.58 60.7 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.412 -0.805 . . . . 3.73 111.066 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -27.08 60.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.754 -1.217 . . . . 2.79 111.477 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.06 -7.21 7.75 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 121.131 -0.981 . . . . 1.84 111.305 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt -162.78 -168.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.766 -1.209 . . . . 1.68 108.621 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -139.89 128.96 23.64 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.535 -1.353 . . . . 2.19 111.353 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -110.86 126.35 54.58 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.755 -1.202 . . . . 1.46 107.755 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 48' ' ' GLY . 2.1 t -53.53 -170.52 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.724 -1.235 . . . . 2.47 110.498 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -58.38 -120.24 0.01 OUTLIER Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.611 -0.996 . . . . 2.13 110.611 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -108.49 12.91 25.79 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.528 -0.983 . . . . 3.56 111.579 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 -115.75 0.57 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.669 -1.372 . . . . 1.46 109.669 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.466 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 50.9 t-105 -163.77 33.71 0.08 Allowed 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.187 -1.184 . . . . 1.22 109.91 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' H ' HG23 ' A' ' 47' ' ' THR . 80.3 mm-40 -100.22 131.2 46.3 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 106.311 -1.737 . . . . 2.5 106.311 177.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -120.12 137.05 54.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.487 -0.758 . . . . 0.89 111.308 -177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.67 139.89 51.28 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.551 0.691 . . . . 2.82 109.205 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 mp -91.93 100.98 13.55 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.295 -0.878 . . . . 1.9 110.379 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 58.5 m -74.7 -55.4 5.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.453 -1.404 . . . . 1.97 108.863 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 56' ' ' SER . 98.7 m-20 -138.37 81.78 24.55 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.364 -0.835 . . . . 2.54 110.453 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -74.85 28.32 0.36 Allowed 'Trans proline' 0 N--CA 1.484 0.944 0 C-N-CA 121.747 1.631 . . . . 1.09 110.836 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 57' ' ' ASP . 83.6 m-20 -70.15 -38.33 75.47 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.723 -1.235 . . . . 2.89 109.423 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -73.72 -38.91 64.66 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.439 -0.788 . . . . 3.15 108.947 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.471 ' CG2' HH21 ' A' ' 64' ' ' ARG . 60.3 t -65.24 -48.16 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.267 -0.896 . . . . 1.35 109.4 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.42 86.64 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.134 -1.061 . . . . 1.4 108.134 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -62.76 -44.67 95.58 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.596 0.713 . . . . 4.21 109.226 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.471 HH21 ' CG2' ' A' ' 61' ' ' VAL . 88.5 mtm180 -74.06 -34.78 64.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 4.01 109.749 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.87 -42.55 80.0 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.839 -0.801 . . . . 1.23 108.839 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.05 -16.26 67.8 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.412 -1.075 . . . . 1.11 110.412 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -61.94 -41.14 97.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.774 -1.427 . . . . 3.18 109.669 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -60.48 -36.26 77.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.162 -0.961 . . . . 4.48 109.404 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -91.9 14.09 16.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.42 -0.8 . . . . 3.03 110.421 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 m120 57.24 46.42 18.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.216 -0.927 . . . . 3.8 109.778 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.24 70.75 11.93 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 2.86 109.338 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -58.16 -8.97 5.55 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 121.407 1.405 . . . . 3.55 110.122 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -99.5 29.12 4.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.395 -0.816 . . . . 5.62 109.02 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.9 tpp -68.93 113.52 6.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.061 -1.025 . . . . 2.66 109.03 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.655 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 10.6 t-20 -69.2 151.32 46.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.366 -0.834 . . . . 1.68 110.021 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' A' ' 76' ' ' TYR . 25.9 t80 -67.23 -25.93 66.34 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.366 -0.834 . . . . 1.51 110.503 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.655 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 34.3 tt0 -58.72 -37.6 76.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.501 -1.375 . . . . 2.53 108.939 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.477 ' N ' ' CD ' ' A' ' 78' ' ' LYS . 11.2 mptt -54.76 -35.67 64.02 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.812 -1.155 . . . . 4.61 107.889 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.26 -31.85 68.0 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.577 -0.898 . . . . 1.76 108.577 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.6 m -57.25 -46.16 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.956 -1.09 . . . . 1.86 108.912 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 81' ' ' ARG . 16.5 ttt-85 -85.96 -37.83 18.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.276 -0.89 . . . . 5.47 109.706 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.55 -46.6 94.08 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.58 -1.408 . . . . 0.85 109.58 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -39.28 69.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -1.115 . . . . 2.17 108.688 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.447 HH11 ' HB3' ' A' ' 84' ' ' ARG . 1.3 ttt-85 -59.59 -43.51 93.65 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.77 -1.206 . . . . 2.92 110.154 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -72.98 -17.14 61.49 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.137 -0.977 . . . . 1.64 109.236 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.499 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 9.3 t80 -75.07 9.86 1.77 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.524 -0.735 . . . . 1.27 111.817 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.4 m-85 -85.31 23.4 1.31 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.774 -1.204 . . . . 2.28 109.316 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.08 -35.75 66.69 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.74 108.091 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -110.3 145.43 37.45 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.734 -1.58 . . . . 3.0 106.734 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -77.82 96.6 4.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.918 -1.114 . . . . 3.23 108.086 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.562 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -138.69 -89.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 108.638 -0.875 . . . . 1.93 108.638 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.562 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 5.9 tt -93.83 129.66 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 120.589 -1.319 . . . . 1.67 110.962 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -121.39 137.7 54.59 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.187 -0.672 . . . . 2.31 109.187 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.582 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 23.7 pttm -69.69 139.85 53.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.785 -1.197 . . . . 3.29 109.753 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.5 m -92.64 137.55 32.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.399 -0.813 . . . . 1.62 110.271 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.16 31.53 0.5 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 2.87 109.561 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.82 -79.13 0.75 Allowed Glycine 0 N--CA 1.49 2.258 0 C-N-CA 119.713 -1.232 . . . . 2.32 110.049 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -108.11 -81.7 0.56 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.333 -1.098 . . . . 3.99 109.263 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -170.51 -40.1 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.781 -1.199 . . . . 6.26 109.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -99.88 21.26 12.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.318 -0.864 . . . . 1.66 108.702 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.9 m -92.98 133.98 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.124 -0.985 . . . . 1.63 111.399 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -121.89 158.04 29.86 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.035 -1.098 . . . . 1.6 108.035 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -147.69 158.5 44.04 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.912 -1.144 . . . . 3.34 107.912 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -128.66 158.5 38.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.251 -0.905 . . . . 1.21 109.554 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 118.192 -0.908 . . . . 2.56 108.722 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.266 0.555 . . . . 3.17 110.421 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.64 127.75 36.39 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.203 -0.936 . . . . 1.99 109.026 179.137 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.557 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 1.4 tm? -53.75 -59.28 4.82 Favored 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 113.01 0.744 . . . . 2.17 113.01 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 51.7 p-90 -68.23 -34.27 75.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.546 -1.347 . . . . 1.28 110.903 -178.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.432 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 18.8 tt0 -59.97 -43.81 94.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.613 -1.304 . . . . 2.89 107.906 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -67.0 -48.82 67.25 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.881 -0.512 . . . . 0.95 110.055 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.26 -49.23 78.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.268 -0.895 . . . . 2.08 109.393 -178.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -66.29 -32.96 74.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 2.46 109.235 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.89 -41.08 90.82 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.571 -1.27 . . . . 2.46 107.571 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.81 -36.18 78.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 2.1 109.357 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CB ' ' HE1' ' A' ' 46' ' ' TRP . 7.5 mp -65.72 -25.24 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.012 -1.055 . . . . 1.97 109.279 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.8 p -121.6 62.58 0.92 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.246 -0.909 . . . . 2.13 110.757 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -132.57 -74.34 0.5 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.275 -1.009 . . . . 3.08 108.275 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.488 ' H ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -118.0 -163.52 0.95 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.723 -0.61 . . . . 3.68 109.41 179.332 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.586 ' C ' ' H ' ' A' ' 41' ' ' GLN . 73.6 m -70.54 -47.06 62.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.053 . . . . 2.78 110.528 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' ILE . 6.8 t 57.6 0.36 0.1 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.113 -0.992 . . . . 2.54 108.786 -178.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' A' ' 39' ' ' SER . 1.5 tm0? -60.67 -39.99 90.46 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.155 -0.966 . . . . 3.73 109.839 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -77.93 -11.9 59.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.638 -0.664 . . . . 2.79 109.537 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -111.78 -12.83 13.79 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.728 -0.607 . . . . 1.84 110.068 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 40' ' ' CYS . 9.3 tt -165.65 -176.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.863 -1.148 . . . . 1.68 108.227 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -114.24 107.76 16.03 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.017 -1.052 . . . . 2.19 110.682 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.451 ' HE1' ' CB ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.58 112.72 25.83 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 106.967 -1.494 . . . . 1.46 106.967 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.719 ' HG1' ' H ' ' A' ' 48' ' ' GLY . 11.2 t -49.53 -173.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.814 0.816 . . . . 2.47 111.413 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.719 ' H ' ' HG1' ' A' ' 47' ' ' THR . . . -72.3 -108.29 0.06 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.57 -1.012 . . . . 2.13 110.57 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.19 12.38 24.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.404 -1.056 . . . . 3.56 111.036 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.75 -116.93 0.9 Allowed Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.861 -2.096 . . . . 1.46 107.861 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.429 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 27.7 t-105 -170.31 37.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -1.104 . . . . 1.22 109.686 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -96.42 104.68 16.67 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.923 -1.51 . . . . 2.5 106.923 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -98.98 119.18 37.33 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.599 -0.688 . . . . 0.89 109.71 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -116.61 134.99 54.18 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.558 0.694 . . . . 2.82 109.575 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.548 ' CD2' ' HH ' ' A' ' 76' ' ' TYR . 10.5 mp -90.4 104.49 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.415 -0.803 . . . . 1.9 110.42 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.3 m -76.47 -68.32 0.6 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.265 -0.897 . . . . 1.97 108.871 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ASP . 65.2 t0 -146.58 75.31 12.3 Favored Pre-proline 0 N--CA 1.5 2.042 0 O-C-N 120.936 -1.103 . . . . 2.54 110.909 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.55 55.75 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.371 1.381 . . . . 1.09 109.492 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 37.2 p-10 -71.39 -37.15 71.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.794 -1.191 . . . . 2.89 110.229 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 79.4 mm-40 -84.91 -34.4 22.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.961 -1.087 . . . . 3.15 109.443 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.32 -43.89 94.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.32 -0.862 . . . . 1.35 109.46 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.63 87.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.303 -0.873 . . . . 1.4 109.259 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -59.6 -44.23 93.47 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.464 -0.939 . . . . 4.21 108.464 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.43 HH11 ' HG3' ' A' ' 64' ' ' ARG . 21.7 ttm-85 -67.13 -33.31 75.16 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.829 -0.804 . . . . 4.01 108.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -59.82 -43.2 94.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.518 -0.739 . . . . 1.23 109.089 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.33 -25.43 28.48 Favored Glycine 0 N--CA 1.496 2.665 0 C-N-CA 120.464 -0.874 . . . . 1.11 111.113 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -63.41 -41.52 98.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.869 -1.371 . . . . 3.18 109.589 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.53 -23.23 62.66 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.225 -0.922 . . . . 4.48 108.644 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -90.81 4.6 51.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.494 -0.754 . . . . 3.03 109.752 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.86 55.27 7.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.908 . . . . 3.8 110.227 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -127.95 150.06 72.53 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.271 -1.011 . . . . 2.86 108.271 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -48.72 -79.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.112 1.208 . . . . 3.55 110.403 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -134.69 149.33 50.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.201 -0.937 . . . . 5.62 109.9 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 ttm -126.26 115.29 19.48 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.374 -0.602 . . . . 2.66 109.374 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -71.07 159.81 34.04 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 1.68 109.34 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.548 ' HH ' ' CD2' ' A' ' 55' ' ' LEU . 57.9 t80 -66.71 -20.53 65.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.689 -0.856 . . . . 1.51 108.689 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.904 -1.122 . . . . 2.53 110.401 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -59.35 -35.33 73.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 4.61 109.067 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.3 mm? -63.24 -41.2 99.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.604 -0.888 . . . . 1.76 108.604 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.3 m -59.19 -43.25 92.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.039 -1.038 . . . . 1.86 109.996 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.57 -40.08 84.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.728 -1.233 . . . . 5.47 110.113 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.53 -45.75 6.35 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.01 -1.091 . . . . 0.85 110.742 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -63.77 -43.96 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.213 -1.169 . . . . 2.17 108.869 -179.328 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -58.8 -44.29 90.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 2.92 109.822 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 55.0 t80 -76.38 -10.99 59.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.1 -1.0 . . . . 1.64 109.129 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 31.6 t80 -72.28 3.05 5.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.248 -0.907 . . . . 1.27 111.53 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.8 m-85 -75.96 66.99 2.26 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.629 -1.294 . . . . 2.28 108.112 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.91 -55.78 5.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.241 -0.912 . . . . 2.74 110.758 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.613 ' CG ' ' H ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -117.14 -90.39 0.56 Allowed 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.671 0.748 . . . . 3.0 109.302 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.613 ' H ' ' CG ' ' A' ' 89' ' ' LYS . 76.9 m-20 -158.72 90.36 1.0 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.119 -0.697 . . . . 3.23 109.119 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.633 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -136.56 -89.38 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.89 . . . . 1.93 111.345 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.633 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 6.7 tt -96.83 127.45 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.873 -1.142 . . . . 1.67 109.24 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -120.06 159.97 23.73 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.644 0.735 . . . . 2.31 109.39 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.536 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 21.8 pttp -97.04 140.0 32.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.471 -0.768 . . . . 3.29 109.916 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.5 m -90.97 133.8 34.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.444 -0.785 . . . . 1.62 109.52 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.53 18.6 0.55 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 2.87 110.473 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.25 -81.68 0.6 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.55 -1.42 . . . . 2.32 109.55 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.452 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 18.0 tttm -105.96 -161.83 0.83 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.287 -1.125 . . . . 3.99 108.815 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.452 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 97.9 mtt180 -98.07 -23.85 15.58 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.042 -1.036 . . . . 6.26 110.909 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.2 20.28 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.106 -0.996 . . . . 1.66 110.447 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.5 m -92.34 128.15 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.785 -1.197 . . . . 1.63 111.644 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 52.7 m-85 -125.27 155.79 39.6 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.567 -0.901 . . . . 1.6 108.567 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -150.13 158.93 44.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.912 . . . . 3.34 108.578 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.429 ' HB2' ' HE1' ' A' ' 51' ' ' TRP . 60.2 m-85 -130.82 157.96 41.47 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.446 -0.784 . . . . 1.21 109.793 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 118.195 -0.907 . . . . 2.56 109.756 -179.15 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.4 pt . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.763 0.792 . . . . 3.17 111.102 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 11.5 tm0? -88.04 153.56 21.18 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.044 -1.095 . . . . 1.99 108.044 179.191 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.565 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 9.8 tt -59.38 -55.46 34.38 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.661 -1.275 . . . . 2.17 112.016 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 66.0 p-90 -77.62 -31.77 53.06 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.438 -1.414 . . . . 1.28 111.299 -178.423 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -58.98 -39.97 83.38 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.604 -1.628 . . . . 2.89 106.604 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.22 -51.7 42.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.244 -0.65 . . . . 0.95 109.244 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.417 ' CD1' ' C ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -58.86 -50.48 73.85 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.261 -1.385 . . . . 2.08 107.261 179.669 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.94 -46.45 89.36 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.617 -0.677 . . . . 2.46 110.365 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.44 -41.65 98.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.95 -1.093 . . . . 2.46 108.441 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -41.62 74.8 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.025 -1.102 . . . . 2.1 108.025 179.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.04 -38.17 70.23 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 1.97 109.384 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -93.14 49.02 1.37 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.42 -0.8 . . . . 2.13 110.991 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -106.44 150.53 25.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.152 -0.968 . . . . 3.08 108.961 178.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.5 tppp? -70.23 -15.74 62.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.46 -0.775 . . . . 3.68 110.955 -179.168 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -72.05 62.31 0.46 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.358 -1.464 . . . . 2.78 107.7 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 41.4 t -82.0 -72.22 0.45 Allowed 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.698 0.761 . . . . 2.54 111.196 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' A' ' 42' ' ' SER . 35.3 mt-30 -66.66 150.47 49.0 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.638 -0.664 . . . . 3.73 110.888 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.558 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 5.5 p 84.65 -26.13 0.11 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.607 -0.516 . . . . 2.79 109.607 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 95.1 m-85 -123.67 -29.89 3.66 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.545 -0.722 . . . . 1.84 110.31 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.629 ' CG1' ' H ' ' A' ' 45' ' ' SER . 5.2 tt -165.76 -169.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.99 -1.069 . . . . 1.68 109.927 -178.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.629 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 15.2 t -137.4 124.79 21.93 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.012 -1.055 . . . . 2.19 111.177 -178.25 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.402 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -111.2 114.0 26.9 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 107.526 -1.287 . . . . 1.46 107.526 178.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.2 p -64.97 151.77 45.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.869 -1.144 . . . . 2.47 109.676 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.36 37.57 3.75 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.17 -1.572 . . . . 2.13 109.17 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -108.07 -123.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.442 -0.948 . . . . 3.56 108.442 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.31 0.35 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.277 -1.529 . . . . 1.46 109.277 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -141.8 78.14 1.62 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.227 -1.16 . . . . 1.22 108.725 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -125.58 123.92 40.1 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.699 -1.223 . . . . 2.5 107.699 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -113.94 127.6 56.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.41 -0.806 . . . . 0.89 109.441 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -115.37 134.26 55.27 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.785 0.802 . . . . 2.82 109.979 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.84 115.75 27.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.632 -0.668 . . . . 1.9 109.377 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 41.1 p -79.17 -72.27 0.4 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.025 -1.047 . . . . 1.97 110.049 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 56' ' ' SER . 40.5 t0 -144.44 69.77 15.6 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 120.777 -1.202 . . . . 2.54 110.37 -179.772 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -62.62 56.09 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.663 1.576 . . . . 1.09 111.023 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 91.2 m-20 -74.3 -33.09 63.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.179 -1.575 . . . . 2.89 109.861 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -85.35 -34.36 21.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.975 -1.078 . . . . 3.15 109.222 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.65 -43.04 90.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.086 -0.709 . . . . 1.35 109.086 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.85 95.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 1.4 109.836 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' A' ' 63' ' ' ARG . 16.5 mtt-85 -64.08 -42.68 96.87 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.136 -1.026 . . . . 4.21 108.786 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -66.14 -36.43 83.1 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.711 -0.796 . . . . 4.01 109.145 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -60.0 -40.86 90.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.218 -0.926 . . . . 1.23 109.425 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.95 -29.8 19.48 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.383 -1.087 . . . . 1.11 110.383 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -61.62 -43.92 97.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -1.217 . . . . 3.18 109.719 -179.086 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 1.2 mmp_? -62.25 -10.73 11.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.443 -0.786 . . . . 4.48 109.709 179.619 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -95.78 13.69 25.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.215 -0.928 . . . . 3.03 108.866 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 57.12 49.78 13.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.134 -0.979 . . . . 3.8 109.543 -179.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 72' ' ' PRO . 13.3 mptt -130.51 161.3 61.58 Favored Pre-proline 0 N--CA 1.503 2.202 0 N-CA-C 108.238 -1.023 . . . . 2.86 108.238 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.1 Cg_endo -59.26 -150.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.905 0 N-CA-C 108.442 -1.407 . . . . 3.55 108.442 178.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -86.94 130.17 34.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.521 -1.362 . . . . 5.62 108.972 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.01 136.95 52.56 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.536 0.684 . . . . 2.66 109.698 -179.135 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -74.6 174.01 9.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.761 . . . . 1.68 110.613 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.04 -17.44 63.26 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.431 0.634 . . . . 1.51 109.701 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.91 -36.4 74.65 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.923 -1.11 . . . . 2.53 110.005 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -31.44 68.65 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.671 -1.268 . . . . 4.61 109.652 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 83' ' ' LEU . 5.2 mt -67.19 -48.69 67.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.814 -1.179 . . . . 1.76 109.302 179.784 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 99.6 p -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.914 -1.116 . . . . 1.86 109.056 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.588 ' O ' ' NH1' ' A' ' 84' ' ' ARG . 82.8 mtm180 -63.41 -41.41 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 5.47 109.574 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.4 -43.41 6.57 Favored Glycine 0 N--CA 1.496 2.644 0 O-C-N 120.927 -1.108 . . . . 0.85 111.604 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -61.03 -49.75 76.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.849 -1.383 . . . . 2.17 109.819 -178.608 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.623 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -55.24 -45.15 76.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.436 -1.415 . . . . 2.92 109.026 -178.799 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.435 ' N ' ' CG ' ' A' ' 84' ' ' ARG . 75.6 t80 -58.63 -18.44 30.51 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.787 -1.196 . . . . 1.64 108.645 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -75.41 63.64 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.286 -0.884 . . . . 1.27 110.428 -179.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.623 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 39.8 m-85 -117.43 6.74 12.64 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.281 -1.007 . . . . 2.28 108.281 177.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -70.56 -42.95 70.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 2.74 109.175 -179.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -104.51 134.23 48.04 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.14 -1.059 . . . . 3.0 108.14 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -80.89 86.69 6.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.74 -1.208 . . . . 3.23 107.74 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.01 -40.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 107.946 -1.131 . . . . 1.93 107.946 -178.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.12 133.54 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.465 -0.772 . . . . 1.67 109.354 179.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -135.43 156.0 49.62 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.716 -0.846 . . . . 2.31 108.716 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.402 ' CD ' ' HH ' ' A' ' 87' ' ' TYR . 27.1 mtpp -77.09 150.57 35.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.328 -0.857 . . . . 3.29 110.31 -179.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.449 ' C ' ' H ' ' A' ' 97' ' ' GLY . 38.7 m -86.95 143.7 27.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 1.62 108.383 179.184 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.78 10.52 0.67 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.367 -0.833 . . . . 2.87 109.854 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -81.84 -103.96 0.39 Allowed Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.116 -1.594 . . . . 2.32 109.116 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -102.08 176.46 5.19 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.477 -1.014 . . . . 3.99 109.208 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -81.92 -9.08 59.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.482 -0.761 . . . . 6.26 110.157 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -98.53 -9.0 25.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.95 . . . . 1.66 110.004 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.5 m -95.48 137.28 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.692 -1.255 . . . . 1.63 111.292 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -114.61 170.8 8.05 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.495 -0.753 . . . . 1.6 109.676 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.05 156.81 39.46 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.953 -1.128 . . . . 3.34 107.953 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -130.66 163.05 28.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.199 -0.938 . . . . 1.21 110.67 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.097 -0.954 . . . . 2.56 108.882 179.93 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.42 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.3 tt . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 108.533 -0.914 . . . . 3.17 108.533 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.749 ' NE2' ' H ' ' A' ' 29' ' ' GLN . 1.5 tm0? -80.47 158.09 25.99 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.237 -0.915 . . . . 1.99 110.09 -179.371 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.539 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -53.6 -78.06 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 113.212 0.819 . . . . 2.17 113.212 -176.47 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.656 ' CD1' ' NE2' ' A' ' 26' ' ' GLN . 66.2 p-90 -56.65 -25.42 53.45 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.203 -1.561 . . . . 1.28 111.004 -176.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.749 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 8.6 mm100 -64.01 -40.56 96.63 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.322 -1.362 . . . . 2.89 107.322 177.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 25.9 t80 -65.72 -52.63 49.72 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.527 -0.733 . . . . 0.95 109.371 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.81 -44.48 89.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 2.08 110.618 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.75 -43.15 89.78 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.149 -0.969 . . . . 2.46 110.536 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.2 -45.73 90.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.971 -1.08 . . . . 2.46 109.142 -178.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -67.59 -31.01 70.77 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.605 -0.887 . . . . 2.1 108.605 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.64 -40.22 86.94 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.246 -0.909 . . . . 1.97 110.609 -178.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -110.16 65.4 0.62 Allowed 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.317 -0.864 . . . . 2.13 109.855 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 53.8 p-10 -135.81 -125.5 0.15 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.608 0.718 . . . . 3.08 109.49 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -56.87 169.76 0.48 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.33 -0.857 . . . . 3.68 110.145 179.747 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -75.5 104.88 6.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 2.78 107.715 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.6 t -86.25 0.88 52.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.54 109.561 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.2 -30.45 64.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.054 -1.029 . . . . 3.73 109.771 -179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -80.38 -15.02 57.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.112 -0.992 . . . . 2.79 109.158 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -114.68 -10.35 12.47 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.219 -0.926 . . . . 1.84 109.495 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.3 tt -161.6 -171.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.142 -0.973 . . . . 1.68 109.197 -179.315 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.437 ' H ' HG12 ' A' ' 44' ' ' ILE . 46.9 t -113.98 111.89 22.4 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.027 -1.045 . . . . 2.19 110.062 -179.439 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.99 109.73 19.33 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.587 -1.264 . . . . 1.46 107.587 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 48' ' ' GLY . 11.4 t -52.91 -177.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.837 -1.165 . . . . 2.47 110.891 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -56.93 -117.45 0.01 OUTLIER Glycine 0 N--CA 1.495 2.63 0 O-C-N 121.336 -0.853 . . . . 2.13 111.138 -179.184 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -109.84 17.29 21.34 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.946 -1.326 . . . . 3.56 111.082 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.18 -115.61 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.716 -1.753 . . . . 1.46 108.716 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -168.06 61.77 0.07 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.179 -1.189 . . . . 1.22 109.611 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' H ' ' CG2' ' A' ' 47' ' ' THR . 16.8 tp10 -122.41 102.48 8.12 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.409 -1.7 . . . . 2.5 106.409 178.389 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -106.15 119.52 39.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.488 -0.758 . . . . 0.89 110.192 -177.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -114.97 130.19 56.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.868 -0.79 . . . . 2.82 108.868 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 10.2 mp -87.64 97.96 11.16 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.543 -0.723 . . . . 1.9 110.414 -178.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 46.4 t -77.64 -60.44 2.37 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.58 -0.7 . . . . 1.97 110.42 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 56' ' ' SER . 94.9 m-20 -139.38 77.61 29.1 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.133 -0.979 . . . . 2.54 111.375 -178.549 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -76.15 57.11 5.15 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 121.684 1.589 . . . . 1.09 108.329 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.77 -41.29 68.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -0.83 . . . . 2.89 109.962 -179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -87.08 -30.59 21.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 3.15 109.455 -178.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -68.31 -54.03 24.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.35 -0.844 . . . . 1.35 110.154 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.53 97.23 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 1.4 110.092 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.533 ' CG ' HH11 ' A' ' 63' ' ' ARG . 0.6 OUTLIER -59.4 -44.01 92.9 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.81 -1.181 . . . . 4.21 108.61 -179.799 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -74.29 -31.81 62.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.333 -0.855 . . . . 4.01 109.453 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -59.94 -35.16 74.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.054 -1.029 . . . . 1.23 110.076 -179.305 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.42 -25.02 44.78 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.748 -1.341 . . . . 1.11 109.748 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -60.01 -36.06 76.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.028 -1.277 . . . . 3.18 109.606 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -58.4 -31.77 68.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.085 -1.009 . . . . 4.48 109.617 -179.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -98.7 7.13 46.45 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.25 -0.906 . . . . 3.03 109.534 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.99 37.86 11.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.475 -0.766 . . . . 3.8 109.094 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 73' ' ' LYS . 31.0 mtmm -140.22 69.01 34.1 Favored Pre-proline 0 N--CA 1.497 1.902 0 N-CA-C 108.952 -0.758 . . . . 2.86 108.952 178.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -56.37 -9.3 3.43 Favored 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 121.854 1.703 . . . . 3.55 110.437 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 71' ' ' LYS . 21.8 mmmt -90.4 24.01 2.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.864 . . . . 5.62 109.458 -179.365 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.4 mmm -81.36 119.05 23.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.135 -0.978 . . . . 2.66 109.433 179.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.727 ' ND2' ' HZ1' ' A' ' 78' ' ' LYS . 21.8 p30 -72.81 169.79 16.02 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.954 0.883 . . . . 1.68 110.803 -179.678 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -70.84 -29.62 65.8 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.653 0.74 . . . . 1.51 109.087 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.04 -30.87 69.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.32 -0.862 . . . . 2.53 110.255 -178.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.727 ' HZ1' ' ND2' ' A' ' 75' ' ' ASN . 60.4 mttp -58.96 -37.3 76.46 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.881 -1.137 . . . . 4.61 109.204 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.29 -49.23 67.76 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.012 -1.055 . . . . 1.76 109.057 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -59.47 -43.74 93.19 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.029 -1.1 . . . . 1.86 108.029 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -68.96 -43.31 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.208 -0.932 . . . . 5.47 108.616 178.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . -67.8 -46.81 64.9 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 110.059 -1.217 . . . . 0.85 110.059 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.6 mt -67.73 -30.39 69.86 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.747 -1.443 . . . . 2.17 109.887 -179.759 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -50.18 -50.02 50.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.984 -1.072 . . . . 2.92 109.524 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -73.07 -22.55 60.57 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.45 -0.781 . . . . 1.64 109.877 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -75.98 70.05 2.65 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.503 -0.748 . . . . 1.27 109.836 -178.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 16.8 m-85 -140.55 22.34 2.34 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.91 -0.774 . . . . 2.28 108.91 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -78.78 -37.97 39.68 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.115 -1.068 . . . . 2.74 108.115 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -103.85 141.7 35.68 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.53 -1.285 . . . . 3.0 107.53 178.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -80.15 92.24 5.65 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.607 -1.257 . . . . 3.23 107.607 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.409 HG12 ' CG ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -139.77 -51.98 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 115.859 -0.609 . . . . 1.93 109.907 -178.181 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.504 ' CG1' ' CE2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -129.88 128.88 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.033 -1.042 . . . . 1.67 109.862 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -128.94 160.17 33.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.312 -0.867 . . . . 2.31 109.478 -179.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.553 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 27.7 ttpp -94.75 139.38 31.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.441 -0.787 . . . . 3.29 109.594 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 97' ' ' GLY . 32.1 m -87.56 141.61 28.49 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.225 -0.922 . . . . 1.62 110.129 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.35 19.71 0.1 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.526 -0.733 . . . . 2.87 111.234 -178.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -79.27 -94.89 0.31 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 108.75 -1.74 . . . . 2.32 108.75 179.171 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.456 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 42.0 mmtm -107.53 -179.16 3.83 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.31 -1.112 . . . . 3.99 108.312 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -80.23 -8.88 59.65 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.399 -0.813 . . . . 6.26 110.836 -178.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -106.86 11.24 30.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.085 -1.009 . . . . 1.66 110.682 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.456 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 2.2 t -94.92 132.51 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.892 -1.13 . . . . 1.63 111.218 -177.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -123.01 157.48 32.63 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.493 -0.928 . . . . 1.6 108.493 178.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -146.82 158.34 43.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.021 -1.049 . . . . 3.34 109.226 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.504 ' CE2' ' CG1' ' A' ' 92' ' ' ILE . 38.0 m-85 -134.36 159.94 39.47 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.584 -0.698 . . . . 1.21 110.714 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 117.828 -1.082 . . . . 2.56 109.943 -179.202 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 108.78 -0.822 . . . . 3.17 108.78 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.534 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 2.6 tm0? -76.29 146.34 38.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.82 -1.175 . . . . 1.99 108.181 -179.405 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.503 ' N ' ' CD ' ' A' ' 26' ' ' GLN . 7.7 tt -75.67 -67.15 0.7 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 2.17 112.961 -177.119 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 32.5 p-90 -65.81 -30.61 71.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.439 -1.413 . . . . 1.28 112.761 -176.345 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.59 -41.5 90.44 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.217 -1.552 . . . . 2.89 108.058 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.53 -49.09 62.21 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.626 0.726 . . . . 0.95 109.392 179.291 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.44 -43.98 95.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.546 -0.721 . . . . 2.08 109.066 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 tp -67.24 -41.04 86.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.479 -0.763 . . . . 2.46 110.077 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.2 -40.02 84.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.06 -1.025 . . . . 2.46 110.021 -179.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.91 -39.43 94.16 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.918 -1.114 . . . . 2.1 110.318 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.94 -43.28 95.08 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.17 -0.957 . . . . 1.97 110.564 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -94.55 12.59 26.91 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.961 -1.087 . . . . 2.13 111.069 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -118.43 -92.84 0.52 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.157 -0.964 . . . . 3.08 110.811 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -52.89 165.22 0.31 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.531 -0.73 . . . . 3.68 109.646 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -66.43 -130.29 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.219 -1.03 . . . . 2.78 108.219 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ILE . 1.3 p 179.0 -42.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.864 -1.148 . . . . 2.54 109.826 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -54.61 -26.02 30.14 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.774 -0.579 . . . . 3.73 111.139 -178.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -74.91 -34.34 62.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.914 -1.116 . . . . 2.79 111.122 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CE2' ' OE1' ' A' ' 60' ' ' GLU . 71.6 m-85 -128.78 -1.93 5.35 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.171 -0.956 . . . . 1.84 111.474 -178.616 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.9 tt -164.39 -170.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.458 -1.401 . . . . 1.68 109.689 -178.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 44' ' ' ILE . 2.8 p -132.97 120.68 21.73 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.95 -1.093 . . . . 2.19 110.313 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -106.14 108.56 20.13 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.09 -1.448 . . . . 1.46 107.09 179.63 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 52' ' ' GLU . 61.3 p -58.27 149.19 24.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.92 -1.113 . . . . 2.47 110.084 -179.099 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.32 47.07 1.11 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.577 -1.409 . . . . 2.13 109.577 179.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -117.43 -118.63 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.491 -1.005 . . . . 3.56 108.787 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.4 -86.47 0.97 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.449 -1.46 . . . . 1.46 109.449 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 68.9 t-105 -146.16 57.88 1.21 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.095 -1.238 . . . . 1.22 109.627 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 58.0 mp0 -104.8 120.92 42.53 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.804 -0.813 . . . . 2.5 108.804 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -117.72 128.26 54.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.38 -0.825 . . . . 0.89 109.294 -179.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -127.07 133.93 50.37 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 122.095 0.95 . . . . 2.82 109.866 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 7.8 mp -86.51 97.81 10.7 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.856 -0.528 . . . . 1.9 110.396 -179.185 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.4 m -78.19 -59.99 2.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 1.97 110.279 179.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -134.0 78.66 59.07 Favored Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 121.31 -0.869 . . . . 2.54 110.363 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -75.19 54.42 3.73 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 C-N-CA 121.401 1.401 . . . . 1.09 109.544 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.45 -41.55 69.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.824 -1.172 . . . . 2.89 110.648 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE1' ' CE2' ' A' ' 43' ' ' PHE . 68.8 mt-10 -87.71 -33.92 18.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.686 -1.259 . . . . 3.15 109.721 -179.242 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.65 -45.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.277 -0.89 . . . . 1.35 108.983 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.08 80.96 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.305 -0.872 . . . . 1.4 109.177 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -68.79 -43.9 74.69 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 4.21 109.89 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.76 -39.93 95.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.227 -0.921 . . . . 4.01 110.035 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.82 -37.44 71.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.115 -0.991 . . . . 1.23 108.761 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.37 -22.01 49.41 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.844 -1.303 . . . . 1.11 109.844 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -65.81 -35.95 82.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.96 -1.317 . . . . 3.18 109.659 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -57.44 -38.64 74.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.266 -0.896 . . . . 4.48 108.905 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.91 14.56 31.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.721 . . . . 3.03 109.514 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 58.23 51.97 7.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.729 -0.607 . . . . 3.8 110.528 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -140.89 69.85 29.5 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.047 -1.033 . . . . 2.86 109.546 178.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -72.61 -4.77 15.92 Favored 'Trans proline' 0 C--N 1.319 -1.006 0 C-N-CA 122.028 1.819 . . . . 3.55 111.35 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -99.1 7.97 45.37 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.858 -1.151 . . . . 5.62 111.769 -178.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.4 mmt -88.84 123.07 32.87 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.65 -1.281 . . . . 2.66 109.394 179.48 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.417 ' ND2' ' CG ' ' A' ' 77' ' ' GLU . 52.8 p-10 -67.3 -179.89 1.11 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.93 0.872 . . . . 1.68 111.183 -179.161 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.92 -20.4 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.067 -0.716 . . . . 1.51 109.067 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' CG ' ' ND2' ' A' ' 75' ' ' ASN . 65.4 mm-40 -60.09 -31.87 70.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 2.53 108.941 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -55.22 -38.07 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.716 -0.846 . . . . 4.61 108.716 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 83' ' ' LEU . 9.5 mt -66.9 -39.4 87.41 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.302 -0.873 . . . . 1.76 108.664 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.8 m -65.05 -47.02 78.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.96 -1.088 . . . . 1.86 109.884 179.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.25 -33.82 76.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.112 -0.993 . . . . 5.47 109.894 -179.084 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.2 -55.3 1.73 Allowed Glycine 0 N--CA 1.492 2.378 0 C-N-CA 120.291 -0.957 . . . . 0.85 110.853 -178.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 79' ' ' LEU . 2.6 tt -61.48 -38.01 85.74 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.117 -1.225 . . . . 2.17 110.123 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' A' ' 86' ' ' TYR . 8.2 tmm_? -59.87 -50.46 73.69 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.183 -1.573 . . . . 2.92 109.349 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.413 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 63.0 t80 -57.37 -11.78 2.07 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.987 -1.071 . . . . 1.64 109.2 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' A' ' 88' ' ' ASP . 4.5 t80 -74.06 9.4 1.59 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.586 -0.696 . . . . 1.27 111.213 -178.581 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -76.81 13.04 1.11 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.686 -1.259 . . . . 2.28 109.262 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 86' ' ' TYR . 73.0 m-20 -71.25 -40.05 71.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 2.74 108.441 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -108.32 135.12 50.17 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.819 -0.808 . . . . 3.0 108.819 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -82.53 86.87 6.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.046 -1.034 . . . . 3.23 108.329 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.483 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -130.23 -57.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.815 -1.18 . . . . 1.93 107.815 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.483 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 14.9 tt -114.59 123.98 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.249 -0.907 . . . . 1.67 109.27 179.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -110.15 147.6 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.312 -0.868 . . . . 2.31 109.606 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 94' ' ' LYS . 2.1 ttmp? -91.05 154.97 19.03 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.655 -0.869 . . . . 3.29 108.655 179.699 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 97' ' ' GLY . 28.4 m -85.74 139.44 31.34 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.423 -1.423 . . . . 1.62 108.706 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.21 46.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.426 -0.796 . . . . 2.87 110.747 -178.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.416 ' H ' HG23 ' A' ' 95' ' ' THR . . . -78.55 -96.84 0.25 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.52 -1.432 . . . . 2.32 109.52 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -106.19 165.08 11.5 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.589 -0.948 . . . . 3.99 108.912 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.747 HH22 ' HH ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -85.8 -17.21 36.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.91 -1.119 . . . . 6.26 110.734 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -71.68 -5.56 34.69 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.772 -1.205 . . . . 1.66 110.095 -178.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.48 120.29 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-O 121.875 0.845 . . . . 1.63 110.059 178.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.747 ' HH ' HH22 ' A' ' 99' ' ' ARG . 11.2 m-85 -105.33 150.88 24.81 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.517 -0.739 . . . . 1.6 109.257 179.122 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -142.58 164.9 28.87 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.616 -0.883 . . . . 3.34 108.616 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 28.4 m-85 -131.15 162.05 30.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.508 -0.745 . . . . 1.21 110.273 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 118.126 -0.94 . . . . 2.56 109.776 -179.282 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.436 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 3.17 108.395 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.99 108.712 -179.736 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.543 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 2.17 111.297 -178.108 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.28 112.011 -177.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.89 108.256 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.95 108.747 178.134 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 2.08 110.492 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 2.46 109.621 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 2.1 109.377 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' CZ2' ' A' ' 46' ' ' TRP . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.97 110.587 -178.643 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 2.13 112.057 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.494 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.68 110.149 -179.359 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.78 111.326 -178.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.494 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.54 110.158 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.73 111.081 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.79 111.51 -178.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.84 109.747 -178.585 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.491 ' CG1' ' N ' ' A' ' 45' ' ' SER . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.68 108.019 -178.27 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 2.19 110.058 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.47 109.705 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 2.13 109.273 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.46 107.908 179.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.22 109.701 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.89 108.999 -178.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.82 110.392 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.9 108.949 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.97 109.957 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 1.35 108.835 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 1.4 108.887 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 4.21 108.871 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 4.01 110.563 179.535 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.23 110.981 -178.098 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.11 110.866 -178.294 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 3.18 108.15 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 4.48 109.578 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 3.03 108.904 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.8 110.353 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.86 108.785 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 3.55 109.728 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.62 109.121 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.66 109.491 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.68 110.612 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.51 108.55 179.029 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.61 108.965 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.76 108.572 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.86 109.117 178.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 5.47 110.627 -179.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.85 111.163 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 2.17 109.557 -178.734 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.92 108.845 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.64 109.962 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 2.28 107.49 179.484 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 3.0 109.052 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 3.23 109.113 179.221 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.575 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.93 111.335 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.575 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.67 109.372 -178.466 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 2.31 109.951 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 3.29 109.913 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.62 108.762 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.87 110.938 -178.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.513 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.99 108.855 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 6.26 110.903 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.66 111.004 -178.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.513 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.63 111.704 -178.287 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.6 108.629 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 3.34 109.782 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.21 109.809 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 2.56 109.771 -178.687 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.204 -0.665 . . . . 3.17 109.204 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.99 109.276 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.598 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 2.17 111.851 -178.333 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.28 109.752 -177.861 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.89 107.955 179.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.95 109.015 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 2.08 108.133 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 2.46 108.608 179.634 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 2.1 110.297 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.97 110.779 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 2.13 110.916 -178.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.68 109.825 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.78 107.662 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.54 109.567 179.53 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.73 111.092 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.541 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.79 111.856 -178.524 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.84 110.064 -178.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.488 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.68 109.021 -178.298 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.488 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 2.19 108.161 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.534 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.47 108.664 179.619 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 2.13 110.204 -179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.46 110.423 -178.057 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.22 109.365 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.534 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.89 108.973 -178.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.82 110.813 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.9 110.562 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.97 109.533 178.721 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 1.35 109.186 179.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 1.4 109.628 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 4.21 108.768 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 4.01 110.912 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HE1' ' HZ1' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.23 109.062 -178.452 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.11 110.152 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 3.18 110.309 -179.563 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 4.48 109.532 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 3.03 109.329 -179.288 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.8 109.834 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.86 108.91 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 3.55 111.3 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.62 109.5 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.66 108.495 179.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.68 111.022 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.51 108.772 179.089 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.691 ' HZ1' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.61 108.631 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.76 108.506 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.86 109.168 179.462 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.678 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 5.47 110.197 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.85 111.108 -178.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' ' 79' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 2.17 108.49 -179.152 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.678 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.92 109.873 179.552 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.64 108.705 179.095 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 2.28 109.312 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 3.0 107.965 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 3.23 107.759 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.93 109.023 -178.39 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.509 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.67 110.277 -179.626 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 2.31 109.562 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 3.29 110.316 -179.038 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.556 ' HG1' ' HE ' ' A' ' 103' ' ' ARG . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.62 109.242 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.87 110.617 -179.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.99 109.18 -179.789 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 6.26 109.177 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.66 111.123 -178.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.416 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.63 110.352 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.6 109.748 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.556 ' HE ' ' HG1' ' A' ' 95' ' ' THR . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 3.34 108.091 178.271 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.21 108.902 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 2.56 109.869 -178.872 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.46 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.739 4.924 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.46 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.948 1 O4'-C1'-N19 111.133 4.166 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 1 O4'-C1'-N19 111.286 4.358 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.824 0 O4'-C1'-N19 110.857 3.821 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.543 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.834 1 O4'-C1'-N19 111.745 4.931 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.206 1 O4'-C1'-N19 111.404 4.505 . . . . 1.26 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.46 1 O4'-C1'-N19 112.03 5.287 . . . . 1.39 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.507 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.331 0 O4'-C1'-N19 110.887 3.859 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.507 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.568 1 O4'-C1'-N19 111.934 5.168 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.481 " O5'" H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.497 1 O4'-C1'-N19 111.63 4.788 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 1 O4'-C1'-N19 111.352 4.44 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.424 1 O4'-C1'-N19 111.291 4.364 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.406 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.678 1 O4'-C1'-N19 111.284 4.355 . . . . 1.29 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.406 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.689 4.861 . . . . 1.35 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.52 0 C3'-C2'-C1' 106.896 2.997 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.814 1 O4'-C1'-N19 111.349 4.436 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.806 5.007 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.941 3.927 . . . . 2.56 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.559 0 O4'-C1'-N19 110.553 3.441 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 0 O4'-C1'-N19 110.253 3.067 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.325 1 O4'-C1'-N19 111.623 4.779 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.182 1 O4'-C1'-N19 111.256 4.32 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.42 ' OP2' ' OD2' ' A' ' 88' ' ' ASP . . . . . . . . 0 C5'--C4' 1.539 3.56 1 O4'-C1'-N19 111.927 5.158 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.539 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.65 3.562 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.539 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 112.375 5.719 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.533 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.573 4.717 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.552 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.8 3.75 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.552 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.97 3.963 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 1 O4'-C1'-N19 112.049 5.311 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 1 O4'-C1'-N19 111.046 4.057 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 1 O4'-C1'-N19 111.176 4.22 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 0 O4'-C1'-N19 110.45 3.312 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.525 3.406 . . . . 1.57 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.841 3.802 . . . . 2.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.837 -0.801 . . . . 3.84 108.837 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 13' ' ' ALA . 50.5 mm -125.71 78.92 68.61 Favored Pre-proline 0 N--CA 1.495 1.812 0 N-CA-C 109.26 -0.644 . . . . 3.94 109.26 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -68.08 4.56 1.47 Allowed 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 121.456 1.437 . . . . 3.96 108.932 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -71.33 -91.79 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.381 -0.824 . . . . 3.43 109.954 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.04 -4.89 5.24 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.633 -0.667 . . . . 3.6 110.172 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.74 -33.92 19.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.529 -1.357 . . . . 3.28 110.102 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.4 mt -87.0 -62.56 1.48 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.473 -0.767 . . . . 3.69 110.545 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.91 -2.24 50.6 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.534 -0.729 . . . . 3.32 111.084 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.74 75.97 0.21 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 108.288 -1.925 . . . . 3.7 108.288 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.516 ' CE1' ' O ' ' A' ' 20' ' ' THR . 45.0 t80 -71.02 134.87 47.46 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.786 -0.832 . . . . 4.08 110.138 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 2.0 t -93.79 150.68 20.18 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.456 -0.777 . . . . 5.16 109.31 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.15 -4.57 68.54 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.459 -1.056 . . . . 5.28 110.459 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.8 p -126.61 146.28 50.22 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 120.833 -1.392 . . . . 4.97 109.189 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.94 76.81 1.07 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.246 -1.542 . . . . 4.02 109.246 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -57.29 137.6 82.38 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 121.072 1.181 . . . . 3.58 109.873 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.445 HG12 ' H ' ' A' ' 26' ' ' GLN . 14.5 tt -74.89 179.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 CA-C-O 121.697 0.76 . . . . 3.17 110.303 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -77.07 138.79 39.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.451 -0.781 . . . . 1.99 109.789 -179.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.558 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 3.1 tm? -51.36 -63.69 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.494 -0.753 . . . . 2.17 111.397 -177.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.587 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 59.8 p-90 -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.413 -1.429 . . . . 1.28 109.391 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.425 ' H ' ' HG3' ' A' ' 26' ' ' GLN . 62.4 tt0 -68.97 -37.88 79.04 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 118.863 -1.135 . . . . 2.89 108.445 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.15 -49.12 73.39 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.329 -0.619 . . . . 0.95 109.329 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.43 -46.61 85.54 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.068 -1.086 . . . . 2.08 108.068 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.79 -40.17 91.63 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.003 -0.739 . . . . 2.46 109.003 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.38 -48.75 79.85 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.249 -0.981 . . . . 2.46 108.96 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.53 -30.05 66.7 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.076 -1.015 . . . . 2.1 108.945 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 10.7 tp -49.94 -46.72 52.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.704 -1.248 . . . . 1.97 110.371 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 p -81.92 56.95 3.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.783 -1.198 . . . . 2.13 107.88 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 42.6 t0 -102.52 132.11 48.79 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 121.889 0.852 . . . . 3.08 109.473 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 9.5 mmpt? -68.5 -40.28 80.93 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.46 0.648 . . . . 3.68 110.138 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -76.99 -10.77 59.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.503 -0.748 . . . . 2.78 111.047 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 44' ' ' ILE . 0.3 OUTLIER -51.77 -28.51 15.54 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.733 -1.187 . . . . 2.54 109.45 -179.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.13 -34.47 76.41 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.472 -1.392 . . . . 3.73 110.189 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.516 ' OG ' ' CD1' ' A' ' 43' ' ' PHE . 88.8 p -82.92 -15.52 51.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.7 -1.25 . . . . 2.79 111.014 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CD1' ' OG ' ' A' ' 42' ' ' SER . 97.0 m-85 -119.12 -7.97 10.24 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.499 -0.75 . . . . 1.84 110.05 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' A' ' 40' ' ' CYS . 11.2 tt -162.31 -177.31 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 1.68 109.605 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.508 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 75.0 m -113.26 115.21 27.82 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.067 -1.021 . . . . 2.19 110.956 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.491 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -117.45 98.53 6.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.113 -1.44 . . . . 1.46 107.113 178.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -68.32 142.5 55.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.585 -1.322 . . . . 2.47 110.273 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.43 50.17 1.64 Allowed Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.886 -1.286 . . . . 2.13 109.886 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -115.92 -112.16 0.34 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.41 -1.053 . . . . 3.56 108.946 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.8 -102.78 0.56 Allowed Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.855 -1.698 . . . . 1.46 108.855 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -144.22 82.18 1.7 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.047 -1.266 . . . . 1.22 109.858 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -131.91 131.44 42.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.459 -0.941 . . . . 2.5 108.459 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -122.16 118.52 28.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.599 -0.688 . . . . 0.89 109.755 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -110.87 135.5 51.33 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.438 -0.789 . . . . 2.82 109.835 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' CD2' ' OH ' ' A' ' 76' ' ' TYR . 11.2 mp -94.36 100.26 12.32 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.645 -0.66 . . . . 1.9 110.301 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 84.1 p -80.02 -63.04 1.5 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.14 -0.975 . . . . 1.97 109.561 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' OG ' ' A' ' 56' ' ' SER . 82.0 m-20 -140.07 80.28 20.65 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.124 -0.985 . . . . 2.54 110.484 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -73.93 57.63 3.91 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.229 1.286 . . . . 1.09 108.9 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.95 -41.18 71.45 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.107 -0.995 . . . . 2.89 109.625 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 43' ' ' PHE . 84.8 mt-10 -88.3 -32.22 18.58 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.977 -0.749 . . . . 3.15 108.977 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.64 -43.25 96.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.162 -0.961 . . . . 1.35 108.983 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.75 75.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.046 -1.034 . . . . 1.4 109.858 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.681 HH12 ' NZ ' ' A' ' 73' ' ' LYS . 8.3 mtt-85 -60.18 -44.9 94.68 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.404 -0.919 . . . . 4.21 108.693 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -63.82 -39.04 93.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.793 -0.817 . . . . 4.01 108.793 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' NZ ' ' A' ' 69' ' ' LYS . 24.2 t-105 -58.52 -41.77 86.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.923 -1.111 . . . . 1.23 108.589 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.85 -17.88 64.63 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.446 -1.062 . . . . 1.11 110.446 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -66.42 -44.84 81.8 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.176 -1.191 . . . . 3.18 109.527 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -61.97 -22.03 65.31 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.446 -0.784 . . . . 4.48 108.958 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -91.98 6.21 47.2 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.391 -0.818 . . . . 3.03 109.486 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 56.69 59.01 3.75 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 3.8 110.597 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -132.11 145.9 59.35 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 107.522 -1.288 . . . . 2.86 107.522 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -60.04 -65.14 0.08 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 121.278 1.319 . . . . 3.55 110.127 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.681 ' NZ ' HH12 ' A' ' 63' ' ' ARG . 55.1 tttp -132.54 132.19 42.34 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.341 -0.985 . . . . 5.62 108.341 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.0 tpp -115.13 128.73 56.39 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.917 0.865 . . . . 2.66 109.86 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.679 HD21 ' H ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -67.45 143.41 56.25 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.785 0.802 . . . . 1.68 109.825 179.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.529 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 68.7 t80 -66.61 -23.79 66.23 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.842 -0.799 . . . . 1.51 108.842 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -58.95 -28.08 65.94 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 107.228 -1.397 . . . . 2.53 107.228 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HZ2' ' P ' ' C' ' 24' ' ' ' DT' . 12.2 tmtt? -56.79 -39.89 74.94 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.934 -1.136 . . . . 4.61 107.934 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 83' ' ' LEU . 2.9 mm? -66.38 -47.34 73.69 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 107.996 -1.113 . . . . 1.76 107.996 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.3 m -60.08 -44.06 95.04 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.251 -1.38 . . . . 1.86 108.773 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.498 HH11 ' H42' ' C' ' 27' ' ' ' DC' . 39.6 ttp180 -68.23 -43.0 78.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.919 -1.113 . . . . 5.47 111.275 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.53 -47.99 4.4 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.092 -1.052 . . . . 0.85 110.987 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -60.83 -47.03 88.2 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.42 -1.047 . . . . 2.17 109.562 -178.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' CZ ' ' OP2' ' B' ' 8' ' ' ' DG' . 6.8 tmm_? -54.0 -49.07 69.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.324 -1.485 . . . . 2.92 108.158 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.416 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 73.6 t80 -62.6 -5.61 2.79 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.144 -0.972 . . . . 1.64 109.843 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 88' ' ' ASP . 11.7 t80 -72.59 3.15 5.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.89 -1.131 . . . . 1.27 111.343 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.62 59.23 0.2 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.663 -1.273 . . . . 2.28 107.614 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' TYR . 65.0 m-20 -80.71 -47.68 13.65 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 2.74 110.532 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -126.05 -93.43 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.813 0.816 . . . . 3.0 109.671 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.418 ' ND2' ' NE2' ' A' ' 93' ' ' HIS . 0.4 OUTLIER -160.51 92.98 0.99 Allowed 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.807 -1.183 . . . . 3.23 107.807 -179.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.538 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -144.92 -91.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.466 -0.771 . . . . 1.93 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.538 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 12.6 tt -93.95 120.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.389 -1.444 . . . . 1.67 110.219 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.418 ' NE2' ' ND2' ' A' ' 90' ' ' ASN . 25.1 m170 -105.3 150.08 25.48 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.481 -0.933 . . . . 2.31 108.481 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -89.54 140.08 29.89 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.754 -1.216 . . . . 3.29 109.714 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 97' ' ' GLY . 35.3 m -88.6 132.44 34.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.0 -1.063 . . . . 1.62 110.246 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.64 19.8 0.36 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.905 . . . . 2.87 109.834 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -77.54 -92.29 0.27 Allowed Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.909 -1.676 . . . . 2.32 108.909 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.484 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 32.8 mmtp -103.93 -175.14 2.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.387 -1.067 . . . . 3.99 108.801 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.606 ' CG ' HH11 ' A' ' 99' ' ' ARG . 4.2 mtt-85 -85.45 -13.29 49.67 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.709 -1.245 . . . . 6.26 109.399 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -108.5 9.92 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.932 -1.105 . . . . 1.66 111.171 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.484 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -91.56 121.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.326 -1.484 . . . . 1.63 111.141 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.529 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 9.2 m-85 -114.07 148.42 37.11 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.009 -1.108 . . . . 1.6 108.009 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -151.11 157.1 42.32 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.087 -1.008 . . . . 3.34 109.573 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -124.69 158.92 32.02 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.587 -0.894 . . . . 1.21 108.587 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 118.061 -0.971 . . . . 2.56 109.458 -179.498 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.607 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.139 4.173 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.402 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.249 4.311 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.248 4.31 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.377 5.721 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C1'-N19 110.724 3.655 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.582 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C1'-N19 111.478 4.598 . . . . 1.26 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.582 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.552 4.69 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.612 ' N7 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.42 1 O4'-C1'-N19 111.416 4.52 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.589 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.972 5.215 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 1 O4'-C1'-N19 111.927 5.158 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.43 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.061 4.076 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.43 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.298 4.373 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.946 5.182 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 1 O4'-C1'-N19 111.131 4.164 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.543 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 C3'-C2'-C1' 107.025 3.089 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.543 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.542 4.677 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.324 4.405 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.368 4.46 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.486 3.357 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.247 4.308 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.45 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 112.113 5.391 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.489 ' OP1' ' NZ ' ' A' ' 89' ' ' LYS . . . . . . . . 0 O4'--C1' 1.448 2.124 1 O4'-C1'-N19 111.944 5.18 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 1 O4'-C1'-N19 111.442 4.552 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.62 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.354 1 O4'-C1'-N19 111.114 4.143 . . . . 1.24 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.62 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.848 5.06 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.484 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.808 3.76 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.484 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O4'-C1'-N19 110.75 3.687 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.314 4.392 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.532 ' C2 ' ' C4 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 112.402 5.752 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.537 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.587 0 O4'-C1'-N19 110.457 3.321 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.537 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.572 4.715 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.422 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.17 2.963 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.417 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.945 3.931 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.417 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 110.959 3.949 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.855 -0.424 . . . . 3.84 109.855 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 tp -139.6 64.58 30.41 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 3.94 109.096 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.88 -3.49 12.85 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 N-CA-C 108.04 -1.562 . . . . 3.96 108.04 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.23 -51.27 47.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.782 -0.574 . . . . 3.43 110.005 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.55 67.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.295 -0.878 . . . . 3.6 108.814 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.83 -33.62 27.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.728 -0.608 . . . . 3.28 110.59 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.78 -39.23 44.76 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.126 -0.983 . . . . 3.69 109.545 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -84.03 -15.53 47.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.296 -0.878 . . . . 3.32 109.929 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.66 -7.11 9.52 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.67 -1.772 . . . . 3.7 108.67 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.486 ' H ' ' C ' ' A' ' 17' ' ' ALA . 1.2 t80 -72.17 121.1 18.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.912 -0.757 . . . . 4.08 109.765 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 m -126.31 -112.11 0.29 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.738 -0.838 . . . . 5.16 108.738 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.88 57.53 3.31 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.74 -1.344 . . . . 5.28 109.74 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 t -106.74 40.58 1.61 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.313 -1.11 . . . . 4.97 109.312 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 170.53 47.11 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.05 -2.02 . . . . 4.02 108.05 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -68.93 129.59 18.76 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.078 1.041 . . . . 3.58 110.725 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.436 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt -84.11 -176.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 3.17 108.395 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.99 108.712 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.543 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 2.17 111.297 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.28 112.011 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.89 108.256 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.95 108.747 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 2.08 110.492 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 2.46 109.621 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 2.1 109.377 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' CZ2' ' A' ' 46' ' ' TRP . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.97 110.587 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 2.13 112.057 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.494 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.68 110.149 -179.359 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.78 111.326 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.494 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.54 110.158 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.73 111.081 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.79 111.51 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.84 109.747 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.491 ' CG1' ' N ' ' A' ' 45' ' ' SER . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.68 108.019 -178.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 2.19 110.058 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.47 109.705 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 2.13 109.273 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.46 107.908 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.22 109.701 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.89 108.999 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.82 110.392 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.9 108.949 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.97 109.957 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 1.35 108.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 1.4 108.887 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 4.21 108.871 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 4.01 110.563 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.23 110.981 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.11 110.866 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 3.18 108.15 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 4.48 109.578 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 3.03 108.904 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.8 110.353 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.86 108.785 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 3.55 109.728 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.62 109.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.66 109.491 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.68 110.612 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.51 108.55 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.61 108.965 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.76 108.572 178.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.86 109.117 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.612 ' NH1' ' N7 ' ' B' ' 8' ' ' ' DG' . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 5.47 110.627 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.85 111.163 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 2.17 109.557 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.92 108.845 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.64 109.962 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 2.28 107.49 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.489 ' NZ ' ' OP1' ' C' ' 22' ' ' ' DA' . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 3.0 109.052 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 3.23 109.113 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.575 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.93 111.335 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.575 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.67 109.372 -178.466 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 2.31 109.951 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 3.29 109.913 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.62 108.762 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.87 110.938 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.513 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.99 108.855 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 6.26 110.903 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.66 111.004 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.513 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.63 111.704 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.6 108.629 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 3.34 109.782 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.21 109.809 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 2.56 109.771 -178.687 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.559 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.841 3.801 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.559 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.244 3.055 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.977 3.971 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C1'-N19 110.251 3.064 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 1 O4'-C1'-N19 111.688 4.86 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.606 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.223 3.029 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.606 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.695 1 O4'-C1'-N19 111.97 5.213 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.584 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.752 0 O4'-C1'-N19 110.901 3.876 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.493 ' O6 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.295 4.368 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.623 ' N6 ' HH12 ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.722 4.902 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.416 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.538 4.672 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.416 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 112.185 5.482 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 1 O4'-C1'-N19 111.368 4.46 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 111.031 4.038 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C3'-C2'-C1' 107.001 3.072 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.19 4.238 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 1 O4'-C1'-N19 111.299 4.374 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.655 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 110.861 3.826 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.608 0 O4'-C1'-N19 110.816 3.77 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.595 4.743 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.493 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.778 4.972 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.493 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.596 0 O4'-C1'-N19 110.588 3.485 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 112.159 5.449 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.453 ' P ' ' HZ3' ' A' ' 78' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.256 0 O4'-C1'-N19 110.495 3.369 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.435 ' O4 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.905 5.131 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.492 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.004 1 O4'-C1'-N19 111.607 4.759 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.51 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.317 3.146 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.534 ' N2 ' ' C6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.332 4.415 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.836 5.045 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.494 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.237 0 O4'-C1'-N19 110.775 3.719 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.494 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.296 4.37 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.465 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-N19 110.272 3.091 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.491 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.912 1 O4'-C1'-N19 111.291 4.364 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.491 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.026 4.033 . . . . 2.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.251 0.548 . . . . 3.84 109.532 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.62 ' C ' ' H ' ' A' ' 13' ' ' ALA . 1.1 pp -142.76 61.5 11.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.24 -0.913 . . . . 3.94 108.735 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.91 29.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.716 1.61 . . . . 3.96 111.257 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.62 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -103.77 -169.64 1.67 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 3.43 110.791 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -10.48 25.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.778 -0.576 . . . . 3.6 109.604 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.71 -11.58 59.89 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.607 -1.257 . . . . 3.28 107.607 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -84.76 -66.7 0.86 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.592 -1.262 . . . . 3.69 107.592 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.13 -66.34 0.88 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.303 -0.999 . . . . 3.32 108.303 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.81 27.03 73.14 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.729 -0.948 . . . . 3.7 110.729 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -74.18 133.73 42.75 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.977 -1.308 . . . . 4.08 109.561 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.565 ' C ' ' H ' ' A' ' 22' ' ' SER . 73.4 p -94.64 -158.12 0.61 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.258 -0.901 . . . . 5.16 110.078 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.73 8.22 0.14 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.508 -1.037 . . . . 5.28 110.508 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.565 ' H ' ' C ' ' A' ' 20' ' ' THR . 39.3 m -98.32 131.33 44.71 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.073 -1.251 . . . . 4.97 108.069 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.64 64.15 4.33 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.358 -1.497 . . . . 4.02 109.358 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -57.87 121.97 10.93 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 120.758 0.972 . . . . 3.58 109.897 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.6 mt -77.38 152.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.232 -0.917 . . . . 3.17 109.204 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.99 109.276 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.598 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 2.17 111.851 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.28 109.752 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.89 107.955 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.95 109.015 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 2.08 108.133 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 2.46 108.608 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 2.1 110.297 -179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.97 110.779 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 2.13 110.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.68 109.825 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.78 107.662 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.54 109.567 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.73 111.092 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.541 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.79 111.856 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.84 110.064 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.488 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.68 109.021 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.488 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 2.19 108.161 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.534 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.47 108.664 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 2.13 110.204 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.46 110.423 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.22 109.365 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.534 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.89 108.973 -178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.82 110.813 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.9 110.562 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.97 109.533 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 1.35 109.186 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 1.4 109.628 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 4.21 108.768 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 4.01 110.912 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HE1' ' HZ1' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.23 109.062 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.11 110.152 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 3.18 110.309 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 4.48 109.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HZ3' " H4'" ' C' ' 24' ' ' ' DT' . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 3.03 109.329 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.8 109.834 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.86 108.91 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 3.55 111.3 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.62 109.5 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.66 108.495 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.68 111.022 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.51 108.772 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.691 ' HZ1' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.61 108.631 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.76 108.506 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.86 109.168 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.678 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 5.47 110.197 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.85 111.108 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' ' 79' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 2.17 108.49 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.678 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.92 109.873 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.64 108.705 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 2.28 109.312 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 3.0 107.965 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 3.23 107.759 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.93 109.023 -178.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.509 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.67 110.277 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 2.31 109.562 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 3.29 110.316 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.556 ' HG1' ' HE ' ' A' ' 103' ' ' ARG . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.62 109.242 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.87 110.617 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.99 109.18 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 6.26 109.177 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.66 111.123 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.416 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.63 110.352 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.6 109.748 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.556 ' HE ' ' HG1' ' A' ' 95' ' ' THR . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 3.34 108.091 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.21 108.902 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 2.56 109.869 -178.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.458 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.765 3.706 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.458 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.197 0 O4'-C1'-N19 110.966 3.958 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.693 3.616 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.252 0 O4'-C1'-N19 110.894 3.867 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C1'-N19 112.214 5.517 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.318 0 C3'-C2'-C1' 106.681 2.843 . . . . 1.26 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.48 ' N4 ' ' OE2' ' A' ' 77' ' ' GLU . . . . . . . . 1 C5'--C4' 1.547 4.451 1 O4'-C1'-N19 112.061 5.326 . . . . 1.39 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.456 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.157 1 O4'-C1'-N19 111.109 4.136 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.456 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 111.505 4.631 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 1 O4'-C1'-N19 111.519 4.649 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.451 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.861 1 O4'-C1'-N19 111.282 4.352 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.451 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.075 1 O4'-C1'-N19 111.705 4.881 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.337 1 O4'-C1'-N19 111.734 4.918 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.265 4.331 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.085 0 O4'-C1'-N19 110.4 3.25 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.449 H2'' " O5'" ' B' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.329 4.411 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . 0.449 " O5'" H2'' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.711 4.888 . . . . 2.51 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.643 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.841 3.801 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.419 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.321 0 O4'-C1'-N19 110.409 3.261 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.419 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.401 1 O4'-C1'-N19 111.078 4.097 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.505 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.011 1 O4'-C1'-N19 111.753 4.941 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.505 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.443 0 O4'-C1'-N19 110.942 3.928 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 1 O4'-C1'-N19 112.027 5.284 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.585 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.224 1 O4'-C1'-N19 111.068 4.086 . . . . 1.24 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.585 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.824 5.03 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.561 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.484 4.606 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.57 ' H42' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.723 0 O4'-C1'-N19 110.646 3.557 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.569 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.514 1 O4'-C1'-N19 111.315 4.393 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.446 ' N2 ' ' C2 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C1'-N19 112.114 5.393 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.446 ' C2 ' ' N2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.391 0 O4'-C1'-N19 110.889 3.861 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.602 4.752 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.634 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.501 3.377 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.41 " O5'" H2'' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.993 0 O4'-C1'-N19 110.593 3.491 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.406 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.304 0 O4'-C1'-N19 110.841 3.801 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 10' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.359 -0.608 . . . . 3.84 109.359 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -135.12 48.43 2.9 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.533 -0.729 . . . . 3.94 109.307 179.43 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 1.2 Cg_endo -56.96 -10.19 5.35 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 121.294 1.329 . . . . 3.96 109.41 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -58.62 -37.98 77.04 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.53 -0.731 . . . . 3.43 109.21 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -33.66 74.04 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.406 -0.961 . . . . 3.6 108.406 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.82 -19.7 28.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.289 -0.882 . . . . 3.28 110.782 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.416 ' O ' ' OE2' ' A' ' 33' ' ' GLU . 88.0 mt -78.83 -27.04 44.2 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.387 -1.446 . . . . 3.69 107.933 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.25 -174.9 4.37 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.806 -1.183 . . . . 3.32 107.806 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.32 10.8 85.92 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 108.395 -1.882 . . . . 3.7 108.395 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.403 ' OH ' ' CD ' ' A' ' 29' ' ' GLN . 39.9 p90 -69.47 128.24 35.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.503 -0.998 . . . . 4.08 109.291 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.9 p -99.84 11.93 38.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.425 -0.797 . . . . 5.16 110.093 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.81 -42.37 59.45 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.104 -1.198 . . . . 5.28 110.104 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -101.96 10.42 39.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.469 -1.018 . . . . 4.97 109.137 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.42 -124.3 7.56 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 108.999 -1.64 . . . . 4.02 108.999 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -53.86 139.84 68.77 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 CA-C-N 119.256 1.528 . . . . 3.58 109.665 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -75.75 136.9 23.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.52 -0.737 . . . . 3.17 109.568 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.554 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 5.9 tm0? -88.51 149.91 23.38 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.594 -1.262 . . . . 1.99 107.594 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 7.3 tt -58.97 -56.06 27.07 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 2.17 111.949 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.554 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 58.6 p-90 -73.22 -35.75 66.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.251 -1.53 . . . . 1.28 111.272 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' CD ' ' OH ' ' A' ' 19' ' ' TYR . 7.7 tt0 -53.81 -44.0 69.81 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 119.988 -1.695 . . . . 2.89 107.762 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.08 -42.67 98.94 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.837 -0.801 . . . . 0.95 108.837 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -50.24 73.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.117 -0.989 . . . . 2.08 109.386 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.55 -43.93 96.69 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.981 -1.074 . . . . 2.46 110.093 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 16' ' ' LEU . 61.4 tt0 -60.84 -49.36 77.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.758 -1.214 . . . . 2.46 108.44 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.7 -39.72 91.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.288 -0.882 . . . . 2.1 109.913 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 9.2 tt -57.46 -39.61 76.69 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.216 -0.927 . . . . 1.97 109.444 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -113.44 70.44 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.508 -0.745 . . . . 2.13 109.791 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' OD1' ' SG ' ' A' ' 40' ' ' CYS . 23.2 p-10 -115.31 -135.46 0.35 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.561 -0.712 . . . . 3.08 109.712 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -59.55 -143.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.935 -1.103 . . . . 3.68 111.042 -178.596 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 41' ' ' GLN . 23.0 t -63.43 -39.51 94.68 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.145 -0.972 . . . . 2.78 110.057 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.498 ' SG ' ' OD1' ' A' ' 37' ' ' ASP . 1.8 m 70.43 -19.05 0.22 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.011 -1.056 . . . . 2.54 109.293 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.56 ' H ' ' C ' ' A' ' 39' ' ' SER . 38.6 mm-40 -63.48 -33.04 74.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.47 -0.769 . . . . 3.73 111.044 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.9 m -79.22 -19.31 51.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.95 -1.094 . . . . 2.79 111.257 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.14 -12.92 8.62 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.022 -1.049 . . . . 1.84 110.514 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.546 ' CG1' ' H ' ' A' ' 45' ' ' SER . 9.1 tt -163.2 -175.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.033 -1.042 . . . . 1.68 109.368 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.546 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 12.0 t -120.19 124.11 44.91 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.71 -1.244 . . . . 2.19 110.701 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.73 106.16 13.55 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.631 -1.618 . . . . 1.46 106.631 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 52' ' ' GLU . 49.0 p -66.98 156.84 34.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.902 -1.124 . . . . 2.47 110.193 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.38 60.77 1.54 Allowed Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.373 -1.491 . . . . 2.13 109.373 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.585 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 31.5 t70 -122.43 -153.48 0.55 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.215 -1.032 . . . . 3.56 108.215 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.585 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -77.98 -61.89 2.45 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 108.623 -1.791 . . . . 1.46 108.623 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -150.66 69.99 1.0 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -1.189 . . . . 1.22 108.18 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' O ' ' OG1' ' A' ' 47' ' ' THR . 95.4 mt-10 -119.42 98.94 6.38 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.456 -1.313 . . . . 2.5 107.456 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' TYR . 58.4 t80 -109.77 133.06 53.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.321 -0.862 . . . . 0.89 110.669 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -133.94 142.05 47.55 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 122.332 1.063 . . . . 2.82 109.989 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 8.1 mp -90.58 100.26 13.14 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.886 -0.597 . . . . 1.9 110.564 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 31.0 t -79.47 -62.56 1.65 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.955 . . . . 1.97 110.492 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 56' ' ' SER . 87.7 m-20 -137.66 77.67 38.87 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 121.226 -0.921 . . . . 2.54 111.399 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.51 58.31 4.49 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 N-CA-C 109.206 -1.113 . . . . 1.09 109.206 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.92 -41.58 61.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.886 -1.134 . . . . 2.89 109.708 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -80.06 -34.21 38.37 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.5 -0.926 . . . . 3.15 108.5 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.63 -42.95 87.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.485 -0.759 . . . . 1.35 109.991 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.32 91.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.956 -1.09 . . . . 1.4 109.082 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.669 ' NH1' ' HZ3' ' A' ' 73' ' ' LYS . 9.1 ttm-85 -61.2 -47.08 87.78 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.609 -0.886 . . . . 4.21 108.609 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -66.87 -41.43 87.27 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.27 -0.894 . . . . 4.01 110.664 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.538 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 10.8 t-105 -62.17 -46.2 90.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.122 -0.986 . . . . 1.23 110.013 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.79 -49.7 47.15 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 120.102 -1.047 . . . . 1.11 110.748 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -66.69 -7.35 20.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.944 -1.327 . . . . 3.18 110.117 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -58.11 -38.89 77.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.886 -1.133 . . . . 4.48 109.337 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -102.94 30.51 4.74 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.406 -0.809 . . . . 3.03 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 55.98 57.3 5.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.199 -0.938 . . . . 3.8 110.018 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 72' ' ' PRO . 61.0 mttm -129.16 154.13 80.47 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.415 -0.803 . . . . 2.86 109.728 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 71' ' ' LYS . 3.0 Cg_exo -52.84 -159.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 121.61 1.54 . . . . 3.55 110.566 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.669 ' HZ3' ' NH1' ' A' ' 63' ' ' ARG . 25.8 mtpp -88.41 123.6 33.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.887 -1.133 . . . . 5.62 109.829 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 19.6 mmt -111.58 137.36 49.53 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.432 -0.793 . . . . 2.66 109.85 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.51 173.0 7.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.601 -0.687 . . . . 1.68 110.015 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.519 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 62.4 t80 -69.83 -15.74 63.15 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.35 -0.844 . . . . 1.51 109.882 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.48 ' OE2' ' N4 ' ' B' ' 7' ' ' ' DC' . 61.6 tt0 -56.53 -32.87 65.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -0.915 . . . . 2.53 108.638 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.538 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 11.6 tmtt? -55.98 -42.69 76.7 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.562 -0.711 . . . . 4.61 109.552 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.9 mt -68.0 -41.35 82.4 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.451 -0.781 . . . . 1.76 109.933 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.5 p -60.85 -46.71 89.5 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.689 -1.257 . . . . 1.86 109.34 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.57 ' NH1' ' H42' ' C' ' 27' ' ' ' DC' . 45.6 ttp180 -77.68 -42.31 35.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.326 -0.859 . . . . 5.47 109.756 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.4 -48.71 22.98 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 120.18 -1.009 . . . . 0.85 111.593 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.62 -30.78 70.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.66 -1.494 . . . . 2.17 110.7 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -53.16 -37.06 61.53 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.878 -1.139 . . . . 2.92 109.434 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 36.6 t80 -73.47 -14.79 61.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.047 -1.033 . . . . 1.64 109.723 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.402 ' C ' ' H ' ' A' ' 88' ' ' ASP . 4.5 t80 -70.98 6.94 1.32 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.104 -0.998 . . . . 1.27 111.625 -177.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.521 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 8.8 m-85 -77.14 15.8 0.66 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.681 -1.262 . . . . 2.28 109.639 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 86' ' ' TYR . 61.4 t0 -73.06 -36.66 66.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.84 -1.163 . . . . 2.74 108.865 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -109.24 136.52 48.57 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.825 -1.176 . . . . 3.0 107.825 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -78.04 91.41 4.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.701 -1.249 . . . . 3.23 109.123 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -136.19 -46.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 115.766 -0.652 . . . . 1.93 109.344 -179.191 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.467 ' CD1' ' CZ ' ' A' ' 104' ' ' PHE . 4.6 tt -137.26 136.16 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.159 -0.963 . . . . 1.67 110.004 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -134.13 149.43 51.07 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.959 -0.756 . . . . 2.31 108.959 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.521 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 67.0 mttm -81.27 144.82 31.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.135 -0.978 . . . . 3.29 110.635 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 97' ' ' GLY . 94.1 m -91.47 127.95 37.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.648 -0.658 . . . . 1.62 109.648 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.96 26.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.355 -0.841 . . . . 2.87 110.362 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -80.52 -69.02 1.42 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.092 -1.203 . . . . 2.32 110.092 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.44 ' CG ' ' H ' ' A' ' 99' ' ' ARG . 18.3 tptm -113.32 -133.79 0.34 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.291 -1.003 . . . . 3.99 108.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.44 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 88.2 mtm180 -121.1 -32.92 3.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.297 -0.877 . . . . 6.26 109.588 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -107.13 26.41 10.19 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.319 -0.863 . . . . 1.66 109.805 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.6 m -91.21 124.01 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 120.735 -1.228 . . . . 1.63 109.906 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.519 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 14.6 m-85 -118.15 145.41 44.93 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.756 -0.831 . . . . 1.6 108.756 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -146.92 159.31 43.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 3.34 109.387 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.467 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 23.0 m-85 -130.01 162.92 27.62 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.581 0.705 . . . . 1.21 109.851 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.934 -1.031 . . . . 2.56 109.838 -179.396 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.212 1 O4'-C1'-N19 111.231 4.289 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C1'-N19 110.389 3.236 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.882 3.853 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 1 O4'-C1'-N19 111.214 4.267 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.522 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.336 1 O4'-C1'-N19 111.633 4.791 . . . . 1.25 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.522 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.216 4.27 . . . . 1.26 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.602 ' N3 ' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.316 1 O4'-C1'-N19 111.566 4.707 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.583 ' N7 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.743 4.929 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.527 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.791 1 O4'-C1'-N19 111.625 4.781 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 1 O4'-C1'-N19 111.496 4.619 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.416 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.299 1 O4'-C1'-N19 111.187 4.234 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.416 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.389 1 O4'-C1'-N19 112.452 5.815 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.47 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.707 3.633 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.47 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.73 4.912 . . . . 1.35 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.483 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 110.334 3.167 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.483 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.109 4.136 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.431 0 O4'-C1'-N19 110.94 3.925 . . . . 2.51 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.415 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.098 0 O4'-C1'-N19 110.61 3.512 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.052 1 O4'-C1'-N19 111.228 4.285 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.02 4.025 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.55 ' C6 ' ' N6 ' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 111.993 5.241 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.55 ' N6 ' ' C6 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.51 1 O4'-C1'-N19 111.09 4.113 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.432 ' OP1' ' CE2' ' A' ' 86' ' ' TYR . . . . . . . . 0 C5'--C4' 1.53 2.315 1 O4'-C1'-N19 111.513 4.641 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.457 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.887 1 O4'-C1'-N19 111.047 4.059 . . . . 1.24 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.457 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.436 1 O4'-C1'-N19 111.457 4.571 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.451 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.112 1 O4'-C1'-N19 111.519 4.648 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.457 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.267 3.084 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.571 ' H21' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.42 1 O4'-C1'-N19 111.652 4.815 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.882 1 O4'-C1'-N19 111.941 5.176 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.487 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.755 0 O4'-C1'-N19 110.794 3.743 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.487 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.034 1 O4'-C1'-N19 111.516 4.645 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 1 O4'-C1'-N19 111.219 4.273 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.504 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.786 1 O4'-C1'-N19 111.071 4.089 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.504 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.789 3.736 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.531 0.681 . . . . 3.84 109.176 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.407 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 8.5 tp -147.68 62.46 6.97 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 121.093 -1.004 . . . . 3.94 108.805 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' ALA . 1.5 Cg_endo -62.53 -13.3 32.54 Favored 'Trans proline' 0 C--N 1.318 -1.037 0 N-CA-C 108.003 -1.576 . . . . 3.96 108.003 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.539 ' N ' ' OD1' ' A' ' 37' ' ' ASP . . . -49.32 -53.74 20.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.174 -0.954 . . . . 3.43 109.158 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -19.7 65.67 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.651 -0.87 . . . . 3.6 108.651 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' PRO . . . -81.68 -33.25 31.34 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.389 -0.819 . . . . 3.28 109.749 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mp -84.86 -16.69 40.39 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.798 -1.189 . . . . 3.69 109.961 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' TYR . . . -79.83 -89.08 0.06 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.917 -1.114 . . . . 3.32 108.732 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . 45.38 23.46 0.8 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.403 -1.479 . . . . 3.7 109.403 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' ALA . 41.8 p90 -68.51 158.68 33.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.997 -1.296 . . . . 4.08 108.86 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' SER . 70.0 m -84.49 145.37 28.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.164 -0.96 . . . . 5.16 110.19 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.22 84.56 0.01 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.651 -1.379 . . . . 5.28 109.651 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' THR . 49.0 m -105.35 31.55 4.84 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.332 -0.988 . . . . 4.97 108.332 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.39 -170.3 35.41 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 107.814 -2.114 . . . . 4.02 107.814 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CA ' HH22 ' A' ' 68' ' ' ARG . 6.5 Cg_exo -56.19 140.5 87.55 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 N-CA-C 109.549 -0.981 . . . . 3.58 109.549 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.3 pt -76.34 168.73 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.106 -0.996 . . . . 3.17 109.686 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.576 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 4.8 tm0? -83.12 153.15 24.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.381 -0.825 . . . . 1.99 109.026 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.576 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 2.4 tm? -60.51 -58.34 8.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 2.17 110.821 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.538 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 50.9 p-90 -75.16 -38.09 61.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.015 -1.053 . . . . 1.28 112.021 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 18.8 tt0 -51.63 -40.13 59.35 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.323 -1.486 . . . . 2.89 107.505 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -62.25 -46.58 88.18 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.79 -0.764 . . . . 0.95 109.729 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -39.59 88.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 2.08 108.346 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -49.77 76.29 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.84 -1.163 . . . . 2.46 110.789 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.94 -36.32 79.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.296 -1.503 . . . . 2.46 109.286 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -40.69 76.3 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.19 -1.041 . . . . 2.1 108.19 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.6 tp -51.16 -49.78 60.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.193 -0.942 . . . . 1.97 111.304 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.2 p -87.74 56.58 3.96 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.539 -1.35 . . . . 2.13 111.174 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 13' ' ' ALA . 27.7 t70 -112.49 130.25 56.06 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.305 -0.998 . . . . 3.08 108.305 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -28.35 68.58 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.317 -0.864 . . . . 3.68 110.636 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.41 -7.03 47.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 2.78 109.628 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.8 m -58.33 -47.31 84.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.919 -1.113 . . . . 2.54 110.72 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.49 -23.63 10.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.536 -1.353 . . . . 3.73 110.267 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 t -73.29 -43.46 60.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.953 -1.092 . . . . 2.79 111.935 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.72 15.08 15.43 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 120.792 -1.193 . . . . 1.84 111.504 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.543 ' CG1' ' H ' ' A' ' 45' ' ' SER . 15.0 tt -164.46 -174.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.764 -1.21 . . . . 1.68 109.269 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.543 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 47.2 t -127.86 129.18 46.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.27 1.033 . . . . 2.19 110.846 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.428 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -114.43 112.07 22.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 106.981 -1.488 . . . . 1.46 106.981 179.171 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' TRP . 65.8 p -58.11 -158.84 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.007 -1.058 . . . . 2.47 110.629 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -60.46 -135.27 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.264 -0.898 . . . . 2.13 111.047 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -106.12 13.7 28.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -1.014 . . . . 3.56 110.408 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.61 -114.78 0.39 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.497 -1.841 . . . . 1.46 108.497 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -155.34 35.44 0.37 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.059 -1.259 . . . . 1.22 109.025 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -98.29 96.72 8.25 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.473 -1.306 . . . . 2.5 107.473 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 102' ' ' TYR . 49.1 t80 -108.65 129.57 55.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.702 -0.624 . . . . 0.89 109.813 -177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 138.35 53.64 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 121.817 0.818 . . . . 2.82 110.188 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 9.4 mp -90.13 97.05 10.96 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 116.025 -0.534 . . . . 1.9 109.734 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -80.7 -54.1 5.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 1.97 110.18 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.6 m-20 -134.11 77.43 61.51 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.295 -0.878 . . . . 2.54 110.412 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -72.17 38.54 0.37 Allowed 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.16 1.24 . . . . 1.09 109.235 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 57' ' ' ASP . 94.6 m-20 -68.02 -42.98 79.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.012 -1.055 . . . . 2.89 110.543 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -80.41 -35.22 35.46 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.151 -0.968 . . . . 3.15 109.001 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.5 t -67.09 -40.3 85.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.739 -0.601 . . . . 1.35 110.121 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.56 97.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 1.4 109.526 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -61.23 -41.84 97.56 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.211 -0.996 . . . . 4.21 108.521 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -68.46 -39.96 81.23 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.112 -0.992 . . . . 4.01 109.73 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.401 ' HB3' ' HZ3' ' A' ' 78' ' ' LYS . 7.8 t-105 -62.24 -37.55 85.86 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.303 -0.999 . . . . 1.23 108.303 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.28 -32.53 80.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.161 -1.576 . . . . 1.11 109.161 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.75 -22.21 64.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.324 -1.104 . . . . 3.18 110.023 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.494 HH22 ' CA ' ' A' ' 24' ' ' PRO . 25.4 tpt180 -57.78 -43.69 85.73 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.355 -0.84 . . . . 4.48 109.535 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -98.55 23.49 8.52 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.685 -0.634 . . . . 3.03 109.675 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.8 m120 56.91 50.33 12.46 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.566 -0.709 . . . . 3.8 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -120.42 149.47 49.91 Favored Pre-proline 0 N--CA 1.504 2.25 0 N-CA-C 108.456 -0.942 . . . . 2.86 108.456 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.4 -83.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.726 0 N-CA-C 109.125 -1.144 . . . . 3.55 109.125 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -136.02 140.21 43.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.403 -0.81 . . . . 5.62 109.139 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -130.87 151.94 50.74 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.912 -0.773 . . . . 2.66 108.912 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -70.03 162.4 28.23 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.339 -0.851 . . . . 1.68 111.187 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.575 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 88.3 t80 -76.37 -16.58 59.7 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.915 -1.143 . . . . 1.51 107.915 178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' OE2' ' N4 ' ' B' ' 7' ' ' ' DC' . 41.8 tp10 -58.21 -30.1 66.22 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.752 -0.833 . . . . 2.53 108.752 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 51.8 pttt -59.89 -36.05 76.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 4.61 109.538 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.0 mt -67.57 -36.72 81.46 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.991 -0.684 . . . . 1.76 109.323 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 77' ' ' GLU . 71.6 p -61.21 -36.91 81.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.104 -0.998 . . . . 1.86 109.835 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.602 ' NH2' ' N3 ' ' B' ' 7' ' ' ' DC' . 19.4 mmt180 -83.12 -31.14 27.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.957 -1.089 . . . . 5.47 109.689 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.9 -40.92 6.91 Favored Glycine 0 N--CA 1.495 2.633 0 O-C-N 120.85 -1.156 . . . . 0.85 110.881 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -42.81 72.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.822 -1.399 . . . . 2.17 110.902 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -59.97 -36.98 78.3 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.002 -1.686 . . . . 2.92 109.42 -178.715 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -69.82 -11.98 61.28 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.363 -0.836 . . . . 1.64 109.376 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.498 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.9 t80 -75.6 1.13 15.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.849 . . . . 1.27 110.186 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.524 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.7 m-85 -67.22 3.8 1.11 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.961 -1.087 . . . . 2.28 109.122 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 86' ' ' TYR . 79.8 m-20 -68.36 -33.0 73.49 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.99 -1.069 . . . . 2.74 108.368 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -116.61 134.05 55.29 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.071 -1.085 . . . . 3.0 108.071 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 31.5 p-10 -80.23 88.9 5.46 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.053 -1.03 . . . . 3.23 109.102 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -136.63 -48.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.124 -1.436 . . . . 1.93 107.124 179.509 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.467 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 10.4 tt -133.49 128.07 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 1.67 109.489 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -122.77 137.69 54.85 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.717 0.77 . . . . 2.31 109.039 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HZ1' ' CB ' ' A' ' 94' ' ' LYS . 3.5 ttmp? -74.97 140.09 43.41 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.602 -0.888 . . . . 3.29 108.602 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.9 m -88.85 131.67 34.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 1.62 109.636 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.11 33.13 0.49 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.046 -1.034 . . . . 2.87 109.323 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.6 -72.49 1.24 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.679 -1.769 . . . . 2.32 108.679 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -111.62 -119.81 0.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.623 -0.928 . . . . 3.99 108.94 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.53 ' CG ' HH11 ' A' ' 99' ' ' ARG . 0.5 OUTLIER -131.95 -39.52 1.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.266 -0.896 . . . . 6.26 110.688 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.409 ' OH ' " O3'" ' B' ' 5' ' ' ' DG' . 98.1 m-85 -102.65 26.76 7.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.232 -0.918 . . . . 1.66 110.05 -178.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.0 m -90.39 120.53 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 CA-C-O 122.231 1.015 . . . . 1.63 110.679 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.575 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 5.4 m-85 -113.56 135.29 54.06 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.393 -0.966 . . . . 1.6 108.393 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -146.78 158.92 44.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.129 -0.982 . . . . 3.34 108.523 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -118.73 155.03 31.81 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.339 0.59 . . . . 1.21 109.909 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.948 -1.025 . . . . 2.56 109.101 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.479 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.502 1 O4'-C1'-N19 111.414 4.518 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 1 O4'-C1'-N19 111.095 4.119 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.289 4.361 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 0 O4'-C1'-N19 110.827 3.784 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.111 1 O4'-C1'-N19 111.946 5.182 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.493 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.493 0 O4'-C1'-N19 110.602 3.503 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.493 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.278 1 O4'-C1'-N19 111.082 4.103 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.576 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.41 4.512 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.576 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.706 1 O4'-C1'-N19 111.567 4.708 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.798 4.997 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.473 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.354 4.442 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.473 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.151 1 O4'-C1'-N19 111.99 5.237 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.437 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 111.393 4.491 . . . . 1.29 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.437 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.121 1 O4'-C1'-N19 111.126 4.157 . . . . 1.35 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.431 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.103 0 O4'-C1'-N19 110.114 2.893 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.431 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 111.378 4.472 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.257 4.321 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.635 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.876 3.845 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 1 O4'-C1'-N19 111.034 4.042 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 1 O4'-C1'-N19 111.093 4.116 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.477 ' C6 ' ' N6 ' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.076 1 O4'-C1'-N19 111.142 4.177 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.477 ' N6 ' ' C6 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.977 0 O4'-C1'-N19 110.829 3.786 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.163 1 O4'-C1'-N19 111.512 4.64 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.49 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.994 0 O4'-C1'-N19 110.873 3.841 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.49 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.584 1 O4'-C1'-N19 111.672 4.841 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.57 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.997 1 O4'-C1'-N19 111.101 4.126 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.609 ' N4 ' HH21 ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.297 0 O4'-C1'-N19 110.655 3.569 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.519 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.419 1 O4'-C1'-N19 111.619 4.774 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.938 5.173 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.419 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.831 1 O4'-C1'-N19 111.013 4.017 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.419 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-N19 110.981 3.976 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.362 3.202 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.511 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.784 3.73 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.511 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.662 0 O4'-C1'-N19 110.968 3.96 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.367 -0.605 . . . . 3.84 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 tp -137.92 63.06 36.64 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.663 -0.866 . . . . 3.94 108.663 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' LEU . 13.9 Cg_endo -69.53 -1.92 9.12 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.09 1.193 . . . . 3.96 109.024 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.68 -55.91 8.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.335 -0.853 . . . . 3.43 109.917 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -29.69 69.12 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.429 -0.794 . . . . 3.6 109.093 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.88 -11.06 54.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.522 -0.736 . . . . 3.28 110.376 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' PRO . 44.2 mt -85.05 -17.35 37.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.061 -1.024 . . . . 3.69 109.401 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.557 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -78.71 -111.74 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.12 -1.067 . . . . 3.32 108.12 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.48 -22.38 0.23 Allowed Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.749 -1.215 . . . . 3.7 110.187 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 17' ' ' ALA . 33.7 p90 -68.75 176.67 2.89 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.73 -1.453 . . . . 4.08 109.0 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.84 122.1 28.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.956 -1.09 . . . . 5.16 109.785 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.46 60.16 1.18 Allowed Glycine 0 N--CA 1.483 1.798 0 N-CA-C 110.162 -1.175 . . . . 5.28 110.162 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -104.21 80.15 1.68 Allowed 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 107.377 -1.342 . . . . 4.97 107.377 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.59 171.58 47.16 Favored Glycine 0 N--CA 1.484 1.889 0 N-CA-C 108.607 -1.797 . . . . 4.02 108.607 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.77 139.77 82.18 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.402 1.401 . . . . 3.58 109.839 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.527 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 11.6 tt -74.67 179.87 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 107.855 -1.165 . . . . 3.17 107.855 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.564 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -76.59 140.28 40.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.554 -1.341 . . . . 1.99 108.31 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.3 tt -62.46 -53.62 52.21 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.418 0.896 . . . . 2.17 113.418 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.5 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.7 p-90 -76.54 -34.11 58.53 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.557 -1.34 . . . . 1.28 111.605 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -59.98 -39.23 84.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 2.89 108.266 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -73.19 -50.61 21.55 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.8 . . . . 0.95 109.185 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.07 -42.66 95.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.06 -1.025 . . . . 2.08 109.478 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.07 -43.63 98.43 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.077 -1.015 . . . . 2.46 109.413 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.16 -44.35 95.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.161 -0.962 . . . . 2.46 109.457 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 2.6 tm? -69.31 -42.91 74.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.252 -0.905 . . . . 2.1 110.017 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.21 -33.69 73.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.328 -0.857 . . . . 1.97 110.626 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.0 p -103.33 8.98 38.17 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.868 -1.145 . . . . 2.13 111.939 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -107.61 -73.09 0.7 Allowed 'General case' 0 N--CA 1.508 2.472 0 O-C-N 120.799 -1.188 . . . . 3.08 111.241 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.78 159.73 1.57 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.108 -0.995 . . . . 3.68 109.512 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' A' ' 40' ' ' CYS . 19.2 t -67.25 -132.15 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.076 -1.083 . . . . 2.78 108.076 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.511 ' N ' ' OG ' ' A' ' 39' ' ' SER . 24.5 p -171.42 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.933 -1.105 . . . . 2.54 110.181 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -71.68 63.56 0.43 Allowed 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.33 -0.856 . . . . 3.73 109.613 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' CYS . 45.4 t -163.16 -49.8 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.933 -0.765 . . . . 2.79 108.933 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -126.84 -0.11 6.66 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 1.84 110.321 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.527 ' CG1' ' H ' ' A' ' 45' ' ' SER . 10.3 tt -162.58 -176.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.643 -1.286 . . . . 1.68 110.167 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.527 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 78.6 p -130.98 126.66 36.59 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.771 -1.205 . . . . 2.19 110.553 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.52 110.39 19.18 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.339 -1.356 . . . . 1.46 107.339 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -62.66 152.02 36.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.693 -1.254 . . . . 2.47 109.693 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.04 30.4 9.4 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.988 -1.245 . . . . 2.13 109.988 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -108.01 -108.38 0.32 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.251 -1.147 . . . . 3.56 109.434 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.27 -104.46 0.43 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.92 -1.672 . . . . 1.46 108.92 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -139.2 58.03 1.64 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.464 -1.021 . . . . 1.22 108.854 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -100.55 121.27 41.3 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.261 -1.014 . . . . 2.5 108.261 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -118.27 125.65 50.53 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.588 -0.695 . . . . 0.89 110.497 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -116.85 137.72 52.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.463 -0.773 . . . . 2.82 111.049 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 10.3 mp -97.58 103.2 15.12 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.586 -0.696 . . . . 1.9 110.061 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -78.76 -66.06 0.91 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 1.97 109.836 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -144.22 81.65 11.32 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.552 -0.718 . . . . 2.54 109.798 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.96 55.04 5.13 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 121.371 1.38 . . . . 1.09 109.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.74 -39.37 70.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.194 . . . . 2.89 110.0 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.62 -40.39 61.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.834 -1.166 . . . . 3.15 109.054 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -63.98 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.637 -0.664 . . . . 1.35 110.099 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.86 95.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.967 -1.083 . . . . 1.4 109.554 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.15 -43.94 95.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.969 -1.082 . . . . 4.21 109.514 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -66.76 -39.69 87.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.109 -0.995 . . . . 4.01 109.613 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -59.31 -42.32 91.1 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.274 -0.891 . . . . 1.23 110.149 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.35 -23.17 77.62 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.695 -1.241 . . . . 1.11 110.113 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -66.31 -44.05 84.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -1.199 . . . . 3.18 110.086 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.545 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -63.48 -15.73 58.61 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.141 -0.975 . . . . 4.48 110.037 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -92.75 9.08 36.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.202 -0.936 . . . . 3.03 109.11 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 58.74 35.91 24.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 3.8 109.296 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' PRO . 32.2 mtmm -143.67 155.04 60.12 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.495 -0.753 . . . . 2.86 109.272 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.4 Cg_exo -53.28 -157.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.899 0 C-N-CA 121.811 1.674 . . . . 3.55 110.649 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -87.69 140.88 29.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 5.62 109.378 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.6 mtp -122.89 160.86 25.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.794 -0.817 . . . . 2.66 108.794 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.403 ' ND2' ' OE1' ' A' ' 77' ' ' GLU . 46.9 p30 -64.9 163.96 13.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.909 -1.119 . . . . 1.68 110.074 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.597 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 53.3 t80 -67.06 -12.56 60.27 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.668 -0.645 . . . . 1.51 110.154 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' OE1' ' ND2' ' A' ' 75' ' ' ASN . 94.8 mt-10 -59.26 -36.94 76.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.188 -0.945 . . . . 2.53 110.309 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -57.52 -36.0 70.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.839 -1.163 . . . . 4.61 109.038 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.39 -41.97 79.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.928 . . . . 1.76 109.374 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -69.31 -35.09 75.62 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.99 -1.069 . . . . 1.86 108.594 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.609 HH21 ' N4 ' ' C' ' 27' ' ' ' DC' . 8.0 mtp180 -78.04 -43.07 30.38 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.499 -0.75 . . . . 5.47 111.467 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.32 -42.64 8.46 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.761 -1.212 . . . . 0.85 111.156 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.75 -41.36 87.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.038 -1.272 . . . . 2.17 110.495 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' NH2' ' N7 ' ' B' ' 9' ' ' ' DG' . 4.6 ppt_? -53.74 -33.91 57.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.476 -1.39 . . . . 2.92 109.505 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -77.03 -7.42 55.63 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 1.64 109.757 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.486 ' C ' ' H ' ' A' ' 88' ' ' ASP . 3.1 t80 -72.99 6.35 2.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 1.27 110.161 -177.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.9 m-85 -69.75 8.91 0.59 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.896 -1.127 . . . . 2.28 109.407 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 86' ' ' TYR . 76.7 m-20 -70.36 -39.98 74.3 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.725 -1.213 . . . . 2.74 107.725 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -110.14 133.18 53.48 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.056 -1.09 . . . . 3.0 108.056 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -78.02 89.9 4.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.933 -1.104 . . . . 3.23 108.828 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -138.27 -44.9 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.719 -0.845 . . . . 1.93 108.719 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.442 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 5.8 tt -137.41 137.24 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.238 -0.914 . . . . 1.67 109.497 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 14.7 m-70 -131.93 163.94 27.24 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 109.071 -0.715 . . . . 2.31 109.071 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -100.04 139.56 35.54 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.16 -0.963 . . . . 3.29 109.14 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -89.81 132.0 35.47 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.83 -1.169 . . . . 1.62 109.345 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.37 32.61 0.45 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.242 -0.911 . . . . 2.87 109.328 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.07 -76.26 0.96 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.92 -1.672 . . . . 2.32 108.92 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -110.27 -117.87 0.29 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.635 -0.921 . . . . 3.99 108.528 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -134.26 -31.41 1.11 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.02 -1.05 . . . . 6.26 110.176 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -104.67 24.4 11.82 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.223 -0.923 . . . . 1.66 109.398 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.99 124.05 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.939 -1.101 . . . . 1.63 110.459 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.597 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 12.3 m-85 -120.24 149.18 42.68 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 108.586 -0.894 . . . . 1.6 108.586 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -151.24 158.71 44.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.038 -1.039 . . . . 3.34 109.993 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 19.1 m-85 -129.23 158.23 39.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.528 -0.732 . . . . 1.21 109.925 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.498 1.969 0 CA-C-O 117.956 -1.021 . . . . 2.56 109.393 -179.635 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.655 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.123 4.153 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.168 1 O4'-C1'-N19 111.279 4.349 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.406 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.636 1 O4'-C1'-N19 111.008 4.01 . . . . 1.42 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.406 ' C2 ' ' C2 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.524 1 O4'-C1'-N19 111.269 4.336 . . . . 1.3 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.411 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.878 1 O4'-C1'-N19 111.678 4.847 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.411 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.418 0 O4'-C1'-N19 110.691 3.614 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.609 H2'' " O5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.547 4.534 1 O4'-C1'-N19 111.334 4.418 . . . . 1.39 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.609 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.945 5.181 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.592 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 112.245 5.557 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.415 1 O4'-C1'-N19 111.578 4.722 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.485 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.492 4.615 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.485 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.644 4.805 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.04 1 O4'-C1'-N19 111.089 4.111 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.019 1 O4'-C1'-N19 111.072 4.09 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.519 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.539 0 C3'-C2'-C1' 107.001 3.072 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.519 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.016 0 O4'-C1'-N19 110.926 3.908 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.297 4.372 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.627 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.467 0 O4'-C1'-N19 110.852 3.815 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.435 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.17 0 O4'-C1'-N19 110.32 3.15 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.245 4.307 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 1 O4'-C1'-N19 111.222 4.277 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 1 O4'-C1'-N19 111.25 4.312 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.667 4.833 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.574 " C3'" ' HZ2' ' A' ' 69' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.253 0 C3'-C2'-C1' 107.333 3.309 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.686 4.858 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.475 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.968 1 O4'-C1'-N19 111.258 4.323 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.475 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.435 3.294 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.437 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 1 O4'-C1'-N19 111.148 4.185 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 112.086 5.358 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.457 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.478 1 O4'-C1'-N19 111.129 4.162 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.457 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.058 1 O4'-C1'-N19 111.314 4.393 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.486 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.447 3.309 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.423 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.157 4.196 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.423 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.346 0 O4'-C1'-N19 110.859 3.824 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.739 0.781 . . . . 3.84 109.648 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 1.4 tp -142.36 45.45 0.65 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.015 -1.053 . . . . 3.94 109.651 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 12.1 Cg_endo -66.83 -6.92 16.88 Favored 'Trans proline' 0 C--O 1.209 -0.971 0 C-N-CA 121.217 1.278 . . . . 3.96 109.536 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.79 84.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.21 -0.931 . . . . 3.43 109.896 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.2 81.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 3.6 109.732 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.29 -18.84 26.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.065 -1.022 . . . . 3.28 110.098 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' PRO . 56.7 tp -80.18 -49.19 12.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.994 -1.066 . . . . 3.69 109.203 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -82.05 -9.09 59.66 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.339 -0.85 . . . . 3.32 109.283 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.43 -8.04 3.25 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.93 -1.668 . . . . 3.7 108.93 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.536 ' H ' ' C ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -74.24 113.42 11.43 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.569 -0.96 . . . . 4.08 109.192 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.9 p -91.66 173.33 7.94 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.399 -0.813 . . . . 5.16 108.969 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.18 78.49 0.16 Allowed Glycine 0 N--CA 1.49 2.3 0 C-N-CA 120.114 -1.041 . . . . 5.28 110.616 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 t -125.69 84.76 2.31 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.418 -1.048 . . . . 4.97 109.135 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.7 160.11 19.4 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 108.682 -1.767 . . . . 4.02 108.682 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -66.49 124.67 12.75 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.098 1.199 . . . . 3.58 110.742 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.614 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 6.6 tt -79.07 -172.55 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 108.015 -1.106 . . . . 3.17 108.015 177.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.614 ' H ' ' CG1' ' A' ' 25' ' ' ILE . 4.4 tm0? -79.05 157.35 28.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.637 -1.289 . . . . 1.99 109.054 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.57 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -70.15 -66.08 0.64 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.136 -0.978 . . . . 2.17 111.432 -178.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 53.6 p-90 -68.46 -29.85 68.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.769 -1.207 . . . . 1.28 111.878 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.221 -1.549 . . . . 2.89 107.417 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CZ ' ' NH1' ' A' ' 64' ' ' ARG . 31.9 t80 -69.3 -54.52 14.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.583 0.706 . . . . 0.95 109.843 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.17 -43.41 95.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 2.08 109.301 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.83 -43.43 93.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 2.46 109.644 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -61.62 -42.68 99.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.105 -0.997 . . . . 2.46 109.185 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.97 -40.16 83.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.398 -0.814 . . . . 2.1 109.308 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.72 -43.78 94.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.966 -1.084 . . . . 1.97 108.578 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -94.56 63.28 2.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.316 -0.865 . . . . 2.13 109.701 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 55.4 t0 -131.94 -135.62 0.19 Allowed 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.409 -0.96 . . . . 3.08 108.409 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -62.47 -165.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.255 -0.903 . . . . 3.68 108.778 179.635 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 41' ' ' GLN . 71.0 m -67.7 -44.75 76.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.677 -1.264 . . . . 2.78 110.957 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.2 t 58.34 -1.34 0.1 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.203 -0.936 . . . . 2.54 108.898 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.612 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.9 tt0 -60.09 -37.78 80.96 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.511 -0.743 . . . . 3.73 110.641 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -78.39 -12.95 60.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 2.79 110.046 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -110.06 -11.39 14.63 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.402 -0.811 . . . . 1.84 109.863 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' H ' ' A' ' 45' ' ' SER . 8.3 tt -162.3 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.051 -1.031 . . . . 1.68 108.819 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.421 ' H ' HG12 ' A' ' 44' ' ' ILE . 8.9 p -115.67 103.67 10.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.197 -0.939 . . . . 2.19 110.227 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.92 109.77 21.45 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.288 -1.745 . . . . 1.46 106.288 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -67.75 150.95 48.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.867 -1.146 . . . . 2.47 109.61 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.2 39.4 2.88 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.149 -1.58 . . . . 2.13 109.149 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 63.9 t0 -109.62 -114.32 0.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.373 -0.973 . . . . 3.56 108.373 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.409 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -84.47 -98.28 0.64 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.319 -1.512 . . . . 1.46 109.319 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -139.76 57.85 1.62 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.375 -1.074 . . . . 1.22 108.773 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -104.01 113.21 26.58 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.611 -0.885 . . . . 2.5 108.611 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -107.42 124.96 50.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.706 -0.621 . . . . 0.89 109.401 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -119.63 130.54 55.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.64 -0.662 . . . . 2.82 109.564 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 8.8 mp -88.73 94.85 10.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 1.9 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 m -78.06 -58.89 3.02 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.408 -0.808 . . . . 1.97 111.368 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -140.14 78.27 23.97 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.161 -0.962 . . . . 2.54 110.901 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -75.05 57.18 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 N-CA-C 108.513 -1.38 . . . . 1.09 108.513 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.64 -49.47 53.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.005 -1.06 . . . . 2.89 109.772 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.41 -34.68 54.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 3.15 108.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.29 -46.48 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.406 0.622 . . . . 1.35 109.593 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -52.54 64.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.411 -0.806 . . . . 1.4 109.573 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' A' ' 63' ' ' ARG . 44.2 mtt-85 -66.07 -42.54 89.26 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.66 -0.65 . . . . 4.21 110.873 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' NH1' ' CZ ' ' A' ' 30' ' ' PHE . 6.2 tmm_? -62.91 -42.34 99.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.023 -1.048 . . . . 4.01 110.304 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -50.53 -45.41 56.78 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.256 -0.902 . . . . 1.23 109.52 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.94 -18.6 57.71 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.34 -0.933 . . . . 1.11 111.146 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.24 -44.28 95.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.797 -1.413 . . . . 3.18 108.962 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -62.92 -21.37 65.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.149 -0.969 . . . . 4.48 108.386 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HZ2' " C3'" ' C' ' 24' ' ' ' DT' . 96.1 mttt -101.05 12.09 38.32 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.489 -0.757 . . . . 3.03 109.931 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 57.16 53.92 7.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.612 -0.884 . . . . 3.8 108.612 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.26 83.13 22.39 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.324 -0.86 . . . . 2.86 109.09 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -55.0 -20.34 22.89 Favored 'Trans proline' 0 C--N 1.321 -0.906 0 C-N-CA 121.477 1.451 . . . . 3.55 110.084 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -102.86 118.35 36.64 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.326 -0.99 . . . . 5.62 108.326 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.5 mmt -129.53 85.77 2.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 2.66 110.053 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.584 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 22.8 t-20 -67.17 143.1 56.77 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.465 -0.939 . . . . 1.68 108.465 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -65.58 -29.68 70.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.983 -1.073 . . . . 1.51 109.389 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.584 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 51.1 tt0 -59.58 -35.16 73.74 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.12 -1.067 . . . . 2.53 108.12 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -54.91 -40.19 69.57 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 119.488 -0.885 . . . . 4.61 109.405 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.44 -38.3 77.77 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.207 -0.933 . . . . 1.76 108.646 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.431 ' HG ' ' N ' ' A' ' 81' ' ' ARG . 80.8 p -63.59 -37.76 88.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.846 -1.159 . . . . 1.86 108.237 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' NH1' ' H42' ' C' ' 27' ' ' ' DC' . 92.0 mtt180 -67.54 -40.32 85.01 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.115 -1.068 . . . . 5.47 108.115 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.14 -52.04 20.15 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.809 -1.716 . . . . 0.85 108.809 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.2 -32.25 73.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -1.125 . . . . 2.17 109.624 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -48.2 -49.62 32.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.99 . . . . 2.92 108.929 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -79.99 -23.47 41.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.567 -0.708 . . . . 1.64 111.2 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -74.53 68.1 1.57 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 1.27 110.42 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.468 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 17.5 m-85 -136.06 12.77 3.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.29 -1.004 . . . . 2.28 108.29 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.73 -32.48 65.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.384 -0.823 . . . . 2.74 109.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -106.63 141.72 37.44 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.641 -0.874 . . . . 3.0 108.641 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.699 HD21 ' H ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -76.12 89.27 3.04 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.952 -1.129 . . . . 3.23 107.952 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.627 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -132.86 -85.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 115.852 -0.613 . . . . 1.93 110.27 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.627 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 10.4 tt -107.03 135.57 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.291 -0.881 . . . . 1.67 110.063 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -130.26 156.99 43.73 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.486 -0.931 . . . . 2.31 108.486 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 40.8 mttp -82.94 140.03 33.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.273 -0.892 . . . . 3.29 109.725 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 97' ' ' GLY . 95.1 m -94.87 131.31 40.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.341 -0.849 . . . . 1.62 109.106 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.43 28.3 0.15 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.077 -1.014 . . . . 2.87 110.1 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -76.9 -80.96 0.61 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.917 -1.273 . . . . 2.32 109.917 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -106.13 -115.44 0.25 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.291 -1.123 . . . . 3.99 108.576 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -131.32 -39.65 1.15 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.303 -0.873 . . . . 6.26 109.437 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.79 29.43 5.81 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.571 -0.706 . . . . 1.66 109.755 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.2 128.17 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -0.949 . . . . 1.63 110.232 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.23 151.61 49.71 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.323 -0.861 . . . . 1.6 109.723 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -148.82 162.33 40.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 3.34 109.021 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 16.7 m-85 -130.05 159.83 35.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.435 -0.791 . . . . 1.21 109.115 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 117.934 -1.031 . . . . 2.56 109.823 -179.254 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 111.161 4.201 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.023 1 O4'-C1'-N19 111.052 4.066 . . . . 1.68 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.096 1 O4'-C1'-N19 111.065 4.081 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.288 0 O4'-C1'-N19 110.912 3.891 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.613 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.95 3.938 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.613 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.607 1 O4'-C1'-N19 112.179 5.474 . . . . 1.26 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.529 ' OP2' H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.122 0 O4'-C1'-N19 110.921 3.902 . . . . 1.39 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.465 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.556 1 O4'-C1'-N19 111.366 4.458 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.432 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.537 1 O4'-C1'-N19 112.029 5.286 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.984 3.98 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.489 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.616 0 O4'-C1'-N19 110.998 3.998 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.489 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 111.735 4.919 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.509 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.506 1 O4'-C1'-N19 111.725 4.907 . . . . 1.29 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.509 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.343 4.428 . . . . 1.35 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.543 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.68 0 C3'-C2'-C1' 106.819 2.942 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.543 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.664 1 O4'-C1'-N19 111.169 4.211 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 O4'-C1'-N19 110.929 3.911 . . . . 2.51 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.693 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.232 0 O4'-C1'-N19 110.863 3.828 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.416 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O4'-C1'-N19 110.557 3.447 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.416 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.456 4.57 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.527 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.986 3.982 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.527 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.279 0 O4'-C1'-N19 110.96 3.951 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.792 1 O4'-C1'-N19 111.626 4.783 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.409 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.3 3.125 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.586 ' P ' ' HZ2' ' A' ' 78' ' ' LYS . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.602 4.753 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.506 " O5'" H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.687 4.858 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.54 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.151 0 C3'-C2'-C1' 106.963 3.045 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.54 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.241 4.302 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.468 ' N2 ' ' C4 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.222 1 O4'-C1'-N19 112.044 5.305 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.522 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.921 0 O4'-C1'-N19 110.942 3.928 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.522 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.315 1 O4'-C1'-N19 111.587 4.734 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.509 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.477 0 O4'-C1'-N19 110.33 3.163 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.527 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.669 3.586 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.527 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.056 1 O4'-C1'-N19 111.216 4.27 . . . . 2.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.888 0.851 . . . . 3.84 109.239 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.484 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.2 tp -140.14 55.62 6.62 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 120.906 -1.121 . . . . 3.94 109.316 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 11.0 Cg_endo -66.03 -14.97 46.91 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 N-CA-C 108.053 -1.556 . . . . 3.96 108.053 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -50.51 73.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.721 -0.612 . . . . 3.43 109.668 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.6 -28.57 67.87 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.225 -0.922 . . . . 3.6 108.669 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.29 -37.44 32.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.627 -0.671 . . . . 3.28 110.653 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -85.64 -14.49 45.4 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.992 -1.067 . . . . 3.69 109.775 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.54 -56.26 3.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.071 -1.018 . . . . 3.32 110.729 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.17 27.61 62.95 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 108.845 -1.702 . . . . 3.7 108.845 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.75 141.92 53.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.582 -0.952 . . . . 4.08 109.145 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 22' ' ' SER . 9.0 t -86.94 166.18 15.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.089 -1.007 . . . . 5.16 109.375 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.02 3.26 58.07 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.426 -1.07 . . . . 5.28 110.426 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.423 ' H ' HG22 ' A' ' 20' ' ' THR . 67.9 p -111.67 142.53 43.88 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.352 -1.087 . . . . 4.97 108.789 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.97 91.82 0.51 Allowed Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.065 -1.614 . . . . 4.02 109.065 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -55.18 144.61 69.51 Favored 'Trans proline' 0 C--O 1.214 -0.68 0 C-N-CA 120.935 1.09 . . . . 3.58 110.212 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 25' ' ' ILE . 33.4 mt -75.97 162.56 4.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 109.128 -0.693 . . . . 3.17 109.128 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.589 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.1 tm0? -86.36 144.76 27.18 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.052 -1.462 . . . . 1.99 107.052 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.7 tt -56.6 -51.49 68.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.002 -1.062 . . . . 2.17 112.154 -177.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.546 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.8 p-90 -77.01 -35.36 57.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.591 -1.318 . . . . 1.28 111.218 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -58.24 -40.16 80.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.229 -1.545 . . . . 2.89 106.987 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.42 -52.43 32.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.771 -0.581 . . . . 0.95 110.54 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.5 tp -64.46 -41.01 96.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.158 -0.964 . . . . 2.08 109.866 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.43 -40.42 95.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.892 -1.13 . . . . 2.46 109.365 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -58.32 -47.45 83.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.634 -1.291 . . . . 2.46 108.805 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.8 tp -68.21 -30.3 69.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 2.1 109.504 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.553 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 12.2 tp -50.7 -44.01 57.93 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.551 -0.718 . . . . 1.97 110.048 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.07 76.22 1.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.881 -1.137 . . . . 2.13 111.29 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -124.79 -63.56 1.16 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.019 -0.734 . . . . 3.08 109.019 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' NZ ' ' CD2' ' A' ' 43' ' ' PHE . 41.6 pttt -103.51 -160.54 0.78 Allowed 'General case' 0 N--CA 1.508 2.446 0 O-C-N 121.276 -0.89 . . . . 3.68 110.874 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -69.03 -38.66 79.29 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.337 -0.852 . . . . 2.78 109.466 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.7 m 54.5 27.41 8.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.528 -0.733 . . . . 2.54 109.786 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -96.89 -44.36 7.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.379 -0.825 . . . . 3.73 109.972 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.463 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p -78.48 -15.18 58.89 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.261 -0.899 . . . . 2.79 110.913 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CD2' ' NZ ' ' A' ' 38' ' ' LYS . 87.9 m-85 -111.46 -15.1 13.61 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.197 -0.939 . . . . 1.84 110.186 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.452 ' CG1' ' H ' ' A' ' 45' ' ' SER . 13.9 tt -168.5 -176.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 108.079 -1.082 . . . . 1.68 108.079 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.452 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 34.0 m -122.88 123.91 42.04 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.94 -1.1 . . . . 2.19 110.564 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.553 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -112.45 109.73 19.5 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 107.523 -1.288 . . . . 1.46 107.523 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -63.12 145.5 55.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.501 -1.375 . . . . 2.47 109.417 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.84 37.07 4.0 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 109.882 -1.287 . . . . 2.13 109.882 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -117.43 -102.78 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.407 -1.055 . . . . 3.56 110.153 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.86 -108.09 0.84 Allowed Glycine 0 N--CA 1.496 2.645 0 N-CA-C 108.943 -1.663 . . . . 1.46 108.943 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -138.61 85.01 2.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.43 -1.041 . . . . 1.22 108.669 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -131.22 131.13 43.73 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.807 -0.812 . . . . 2.5 108.807 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.459 ' O ' ' O ' ' A' ' 102' ' ' TYR . 37.4 t80 -129.58 129.7 44.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.89 109.275 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -126.6 136.28 52.33 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.243 -0.911 . . . . 2.82 109.305 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 10.4 mp -91.4 100.36 13.16 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 121.375 0.607 . . . . 1.9 110.482 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -78.66 -58.81 3.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.927 . . . . 1.97 110.093 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -139.64 77.32 28.27 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.022 -1.048 . . . . 2.54 110.82 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -74.52 42.14 0.76 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.444 1.429 . . . . 1.09 110.464 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.77 -44.1 74.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.685 -1.259 . . . . 2.89 109.212 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -71.27 -43.16 67.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.223 -0.923 . . . . 3.15 108.68 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' TRP . 38.0 t -67.55 -47.61 79.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.78 -0.575 . . . . 1.35 109.885 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.06 83.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.107 . . . . 1.4 109.06 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.03 -43.18 99.39 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.774 -1.204 . . . . 4.21 107.903 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.632 ' HE ' ' NH2' ' A' ' 68' ' ' ARG . 69.1 ttt180 -65.85 -39.37 90.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 4.01 109.125 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' VAL . 54.5 t-105 -58.82 -41.07 85.98 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.606 0.717 . . . . 1.23 109.095 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.89 -13.5 71.98 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.828 -1.309 . . . . 1.11 109.828 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.58 -40.74 96.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.155 -1.203 . . . . 3.18 109.145 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.632 ' NH2' ' HE ' ' A' ' 64' ' ' ARG . 11.2 mpt_? -60.53 -31.22 70.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.865 . . . . 4.48 109.548 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -88.79 1.11 55.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.949 -1.094 . . . . 3.03 108.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 60.91 27.98 17.79 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.835 -0.541 . . . . 3.8 111.648 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.57 160.0 30.49 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 120.973 -1.079 . . . . 2.86 108.646 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.515 ' O ' ' SD ' ' A' ' 74' ' ' MET . 4.0 Cg_endo -61.98 -153.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.212 -0.821 0 N-CA-C 108.361 -1.438 . . . . 3.55 108.361 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -92.47 126.63 37.64 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.939 -1.134 . . . . 5.62 107.939 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 72' ' ' PRO . 4.4 mpp? -115.87 159.96 20.82 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 109.032 -0.729 . . . . 2.66 109.032 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 p30 -69.38 156.34 38.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.257 -0.902 . . . . 1.68 110.532 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.566 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 81.9 t80 -69.39 -17.35 63.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 1.51 110.071 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -53.67 -35.86 61.52 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.269 -0.894 . . . . 2.53 110.156 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.586 ' HZ2' ' P ' ' C' ' 25' ' ' ' DT' . 43.3 mtpt -57.67 -35.53 70.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.149 -0.969 . . . . 4.61 109.579 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.35 -46.4 76.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.982 -1.074 . . . . 1.76 109.096 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -60.86 -39.84 90.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.816 -1.177 . . . . 1.86 108.152 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.513 ' NH2' ' O4 ' ' C' ' 25' ' ' ' DT' . 0.0 OUTLIER -75.49 -44.11 45.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.415 -0.803 . . . . 5.47 109.637 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . -68.12 -47.37 59.67 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.789 -0.924 . . . . 0.85 110.789 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.26 -35.34 78.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.952 -1.322 . . . . 2.17 108.898 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.465 ' NE ' ' OP2' ' B' ' 8' ' ' ' DG' . 2.3 tmt_? -52.45 -43.82 65.15 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.292 -0.88 . . . . 2.92 109.554 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -71.58 -17.01 62.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.64 109.154 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.5 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 12.1 t80 -77.2 14.82 0.83 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.437 -0.789 . . . . 1.27 110.923 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.633 ' HH ' ' H ' ' A' ' 94' ' ' LYS . 7.4 m-85 -87.25 18.36 3.78 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.988 -1.07 . . . . 2.28 108.956 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.59 -29.58 61.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.96 -1.087 . . . . 2.74 108.31 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -111.76 139.89 46.85 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.394 -0.965 . . . . 3.0 108.394 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -76.51 90.59 3.3 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.93 -1.106 . . . . 3.23 108.622 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.646 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -138.02 -89.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 115.741 -0.663 . . . . 1.93 109.606 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.646 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 9.3 tt -98.28 133.72 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.18 -0.95 . . . . 1.67 111.238 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -128.77 152.3 48.6 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.964 -0.754 . . . . 2.31 108.964 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.633 ' H ' ' HH ' ' A' ' 87' ' ' TYR . 3.0 pptp? -103.84 147.73 26.96 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.994 -1.067 . . . . 3.29 110.076 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 97' ' ' GLY . 89.9 m -88.64 132.08 34.71 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.952 -0.758 . . . . 1.62 108.952 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.99 16.17 3.01 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.276 -0.89 . . . . 2.87 110.863 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.419 ' H ' HG23 ' A' ' 95' ' ' THR . . . -77.18 -38.39 29.8 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 119.539 -1.315 . . . . 2.32 109.957 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -127.34 -134.32 0.24 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.361 -1.082 . . . . 3.99 108.161 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 -30.41 0.91 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.82 -1.175 . . . . 6.26 109.886 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -106.15 21.78 16.79 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.13 -0.982 . . . . 1.66 110.159 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 m -91.43 120.09 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.046 -1.034 . . . . 1.63 110.218 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 7.8 m-85 -119.08 150.41 40.03 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 109.134 -0.691 . . . . 1.6 109.134 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -158.75 169.15 25.02 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 120.889 -1.132 . . . . 3.34 109.694 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.447 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 31.3 m-85 -130.87 163.75 26.73 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.793 -0.567 . . . . 1.21 109.791 -178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 117.945 -1.026 . . . . 2.56 109.396 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.479 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.226 1 O4'-C1'-N19 111.094 4.117 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.479 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 110.592 3.49 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.953 1 O4'-C1'-N19 111.102 4.127 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 1 O4'-C1'-N19 111.526 4.658 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.546 4.683 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.467 H2'' " O4'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.99 0 C3'-C2'-C1' 106.917 3.012 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.467 " O4'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.716 1 O4'-C1'-N19 111.927 5.159 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.535 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.597 1 O4'-C1'-N19 111.178 4.223 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.535 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 112.001 5.251 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.186 1 O4'-C1'-N19 111.461 4.576 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.4 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.606 3.507 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.4 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 112.315 5.644 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.267 4.334 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 1 O4'-C1'-N19 111.659 4.824 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.519 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.604 0 C3'-C2'-C1' 106.997 3.069 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.519 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 111.125 4.156 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 1 O4'-C1'-N19 111.448 4.561 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 1 O4'-C1'-N19 111.347 4.434 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.486 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.842 0 C3'-C2'-C1' 107.033 3.095 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.486 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.108 0 O4'-C1'-N19 110.707 3.634 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 1 O4'-C1'-N19 111.534 4.667 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.22 4.275 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.438 ' OP2' ' OD2' ' A' ' 88' ' ' ASP . . . . . . . . 0 C5'--C4' 1.536 3.17 1 O4'-C1'-N19 111.194 4.243 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.542 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.522 0 C3'-C2'-C1' 107.036 3.097 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.542 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.726 4.908 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.091 1 O4'-C1'-N19 111.322 4.402 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.034 4.043 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.097 4.122 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 112.707 6.134 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.444 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.303 1 O4'-C1'-N19 111.337 4.421 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.444 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.211 1 O4'-C1'-N19 111.407 4.509 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.42 3.275 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.522 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.263 0 O4'-C1'-N19 110.787 3.734 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.522 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.543 4.019 0 O4'-C1'-N19 110.841 3.801 . . . . 2.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.608 ' CG1' ' HZ3' ' A' ' 38' ' ' LYS . 28.0 m . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.466 0.65 . . . . 3.84 109.264 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -137.29 58.6 17.98 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 121.628 -0.67 . . . . 3.94 109.567 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -69.0 -10.03 28.03 Favored 'Trans proline' 0 C--O 1.211 -0.841 0 N-CA-C 107.677 -1.701 . . . . 3.96 107.677 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' ALA . . . -58.91 -45.4 90.41 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.534 -0.729 . . . . 3.43 109.817 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.09 70.69 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.07 -1.019 . . . . 3.6 108.434 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.53 -44.16 12.16 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 3.28 109.897 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp -83.9 -49.98 8.49 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.849 -1.157 . . . . 3.69 110.484 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . -83.81 -96.11 0.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.063 -1.023 . . . . 3.32 109.603 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.47 28.64 15.3 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 108.249 -1.941 . . . . 3.7 108.249 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.597 ' OH ' ' N ' ' A' ' 26' ' ' GLN . 24.0 p90 -69.94 130.71 42.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.916 -0.755 . . . . 4.08 110.449 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -126.17 0.5 7.13 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.313 -0.867 . . . . 5.16 108.995 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.25 86.1 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.989 -1.244 . . . . 5.28 109.989 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -122.54 35.76 4.8 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.332 -1.099 . . . . 4.97 109.412 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.87 -178.96 49.94 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.001 -1.24 . . . . 4.02 110.001 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -57.86 -177.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 121.971 1.78 . . . . 3.58 109.986 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.7 mm -68.98 127.17 30.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 O-C-N 121.049 -1.032 . . . . 3.17 109.263 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.597 ' N ' ' OH ' ' A' ' 19' ' ' TYR . 5.9 tm0? -89.75 159.37 17.09 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.773 -0.825 . . . . 1.99 108.773 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.555 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 5.0 tt -65.91 -67.24 0.46 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.2 -0.937 . . . . 2.17 111.773 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.6 p-90 -71.04 -38.86 72.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.11 -0.993 . . . . 1.28 112.085 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.471 ' NE2' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -52.02 -50.08 62.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.409 -1.432 . . . . 2.89 108.12 -179.036 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -64.04 -51.64 63.18 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.638 -0.664 . . . . 0.95 110.507 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.64 -40.15 90.89 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.191 -0.943 . . . . 2.08 108.611 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -67.87 -41.12 83.32 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.994 -0.743 . . . . 2.46 108.994 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -62.31 -39.68 93.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.064 -1.023 . . . . 2.46 109.342 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 44.1 tp -58.04 -34.11 69.73 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.847 0.832 . . . . 2.1 109.32 -179.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.476 ' CA ' ' HE1' ' A' ' 46' ' ' TRP . 5.9 mp -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.483 -0.761 . . . . 1.97 111.615 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.4 p -95.63 -3.16 46.76 Favored 'General case' 0 N--CA 1.511 2.58 0 O-C-N 120.648 -1.283 . . . . 2.13 113.097 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.653 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 43.3 p30 -101.69 -96.33 0.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.767 -1.208 . . . . 3.08 109.246 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.653 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 4.3 tmmm? -55.24 148.31 14.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.57 -1.331 . . . . 3.68 108.677 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.8 t -66.25 -43.23 87.13 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.923 -1.11 . . . . 2.78 110.691 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 71.24 -4.66 1.75 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.673 -0.642 . . . . 2.54 110.059 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -56.24 -39.24 72.25 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.903 -1.123 . . . . 3.73 109.713 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.9 t -83.28 -14.61 52.73 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.601 -0.687 . . . . 2.79 109.872 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -109.64 -10.22 14.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 1.84 109.858 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 tt -165.92 -170.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.997 -1.112 . . . . 1.68 107.997 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.43 ' H ' HG12 ' A' ' 44' ' ' ILE . 75.2 m -114.39 81.03 1.48 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.16 -0.962 . . . . 2.19 110.642 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.476 ' HE1' ' CA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.25 94.76 9.34 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.58 -1.267 . . . . 1.46 107.58 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -64.65 142.8 58.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.416 -1.427 . . . . 2.47 109.583 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.4 52.72 2.1 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 109.124 -1.59 . . . . 2.13 109.124 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 56.0 p30 -110.46 -121.64 0.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.665 -0.903 . . . . 3.56 108.916 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 49' ' ' ASP . . . -80.92 -95.67 0.41 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.155 -1.978 . . . . 1.46 108.155 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -145.92 78.82 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.95 -1.324 . . . . 1.22 109.62 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -129.61 130.0 45.07 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.813 -1.18 . . . . 2.5 107.813 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -119.36 128.48 54.12 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.755 -0.591 . . . . 0.89 109.678 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -122.8 136.12 54.76 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.544 -0.723 . . . . 2.82 109.473 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -92.41 99.78 12.47 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.112 -0.993 . . . . 1.9 109.86 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.0 t -79.91 -59.15 2.84 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.957 -1.089 . . . . 1.97 109.534 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -148.8 79.85 8.4 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.52 -0.737 . . . . 2.54 110.4 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -74.38 49.4 2.04 Favored 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.282 1.321 . . . . 1.09 109.341 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.67 -40.35 76.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.524 -1.36 . . . . 2.89 110.164 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.12 -28.95 38.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.826 -1.171 . . . . 3.15 108.967 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.24 -38.18 80.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.816 -1.177 . . . . 1.35 108.286 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.33 85.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.727 -0.608 . . . . 1.4 110.177 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -71.47 -35.56 70.89 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.682 -1.261 . . . . 4.21 109.736 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' C ' ' NE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -69.87 -42.84 72.96 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.234 -0.916 . . . . 4.01 108.87 179.603 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -58.41 -40.65 83.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.269 -0.895 . . . . 1.23 109.474 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.34 -22.49 60.47 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.95 -1.119 . . . . 1.11 110.328 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.47 -40.3 89.29 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -1.115 . . . . 3.18 109.643 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -27.07 65.66 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.077 -1.014 . . . . 4.48 109.967 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -96.95 12.41 32.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.371 -0.831 . . . . 3.03 109.349 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 56.35 58.49 4.22 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.409 0.623 . . . . 3.8 111.026 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.673 ' HZ2' ' CE ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -134.45 159.12 73.48 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 107.427 -1.323 . . . . 2.86 107.427 178.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.28 -87.32 0.0 OUTLIER 'Trans proline' 0 C--O 1.214 -0.714 0 C-N-CA 121.364 1.376 . . . . 3.55 109.893 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.87 159.5 41.68 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.207 -0.933 . . . . 5.62 109.814 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.673 ' CE ' ' HZ2' ' A' ' 71' ' ' LYS . 61.2 mtt -130.27 132.53 45.96 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.48 -0.763 . . . . 2.66 110.195 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.656 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -69.9 160.24 32.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.639 -1.245 . . . . 1.68 107.639 178.285 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.457 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 62.6 t80 -65.99 -28.24 68.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.883 -1.136 . . . . 1.51 110.797 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.656 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.4 mt-10 -59.97 -30.59 69.2 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.65 -1.282 . . . . 2.53 108.96 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -56.8 -38.51 72.66 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 118.808 -1.157 . . . . 4.61 108.857 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.44 -43.18 86.32 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.138 -1.06 . . . . 1.76 108.138 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 77' ' ' GLU . 81.1 p -60.78 -36.36 78.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.041 -1.037 . . . . 1.86 108.733 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' A' ' 81' ' ' ARG . 23.7 mtt-85 -60.35 -43.93 96.02 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.138 -0.976 . . . . 5.47 109.303 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.51 -45.69 9.48 Favored Glycine 0 N--CA 1.481 1.64 0 N-CA-C 109.871 -1.292 . . . . 0.85 109.871 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.74 -33.61 74.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -1.122 . . . . 2.17 112.632 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.645 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -59.77 -39.27 84.3 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.109 -1.619 . . . . 2.92 109.574 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.645 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 77.2 t80 -86.59 -16.97 35.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.624 -0.673 . . . . 1.64 110.272 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -69.03 2.2 2.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.058 -1.026 . . . . 1.27 111.078 -177.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.41 ' HH ' ' H ' ' A' ' 94' ' ' LYS . 15.4 m-85 -76.62 61.27 1.78 Allowed 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.254 -1.387 . . . . 2.28 107.254 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.438 ' OD2' ' OP2' ' C' ' 23' ' ' ' DC' . 97.6 m-20 -79.69 -53.95 6.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.103 -0.998 . . . . 2.74 110.669 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' NZ ' ' CB ' ' A' ' 89' ' ' LYS . 8.9 mtpm? -113.31 -98.58 0.43 Allowed 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.987 0.899 . . . . 3.0 109.192 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -162.0 84.39 0.59 Allowed 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.874 -1.158 . . . . 3.23 107.874 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -128.61 -51.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.796 -0.565 . . . . 1.93 109.702 -178.519 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.508 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 6.4 tt -134.28 128.26 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.749 -1.219 . . . . 1.67 109.428 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -128.79 138.96 52.37 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.277 -0.638 . . . . 2.31 109.277 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' H ' ' HH ' ' A' ' 87' ' ' TYR . 22.8 pttm -76.82 152.56 35.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 3.29 109.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.4 m -88.32 137.84 31.97 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.661 -0.866 . . . . 1.62 108.661 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.99 19.2 0.43 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.357 -0.84 . . . . 2.87 110.447 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.46 -87.12 0.66 Allowed Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.325 -1.51 . . . . 2.32 109.325 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -104.42 -178.13 3.57 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.473 -1.016 . . . . 3.99 109.054 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -87.37 -12.69 45.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.987 -1.07 . . . . 6.26 110.955 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.22 5.66 30.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.117 -0.989 . . . . 1.66 110.77 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.3 m -91.06 123.77 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.625 -1.297 . . . . 1.63 111.372 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.457 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 25.7 m-85 -121.72 152.26 39.61 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.639 -0.874 . . . . 1.6 108.639 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -151.43 156.05 39.85 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.253 -1.017 . . . . 3.34 108.253 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 24.3 m-85 -118.01 144.49 45.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.465 -0.772 . . . . 1.21 109.169 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 118.113 -0.946 . . . . 2.56 109.491 -178.515 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 1 O4'-C1'-N19 112.118 5.398 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C1'-N19 110.946 3.932 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.851 3.813 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.631 4.789 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.489 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.909 0 O4'-C1'-N19 110.832 3.79 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.626 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.968 3.96 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.626 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.107 1 O4'-C1'-N19 111.739 4.923 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.432 ' OP2' ' NH1' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.21 1 O4'-C1'-N19 111.724 4.905 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.947 5.183 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C1'-N19 110.961 3.951 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.469 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.596 4.745 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.469 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.288 1 O4'-C1'-N19 111.665 4.831 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.847 1 O4'-C1'-N19 111.33 4.412 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.55 4.687 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 0 C3'-C2'-C1' 106.944 3.031 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 1 O4'-C1'-N19 111.489 4.611 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.105 1 O4'-C1'-N19 111.151 4.189 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.621 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.46 0 O4'-C1'-N19 110.971 3.964 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.494 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.357 3.196 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.393 1 O4'-C1'-N19 111.199 4.249 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.483 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.385 4.481 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.483 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.359 4.448 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 1 O4'-C1'-N19 111.384 4.48 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.538 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.561 0 O4'-C1'-N19 110.37 3.213 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.538 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.222 1 O4'-C1'-N19 112.011 5.263 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.499 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.778 4.973 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.499 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.847 0 O4'-C1'-N19 110.669 3.586 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.439 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.98 0 O4'-C1'-N19 110.841 3.802 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.742 1 O4'-C1'-N19 111.82 5.025 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.508 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O4'-C1'-N19 110.614 3.517 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.508 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.319 4.399 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.831 0 O4'-C1'-N19 110.518 3.397 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.679 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.204 1 O4'-C1'-N19 111.899 5.124 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.679 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.662 0 O4'-C1'-N19 110.863 3.829 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.303 -0.629 . . . . 3.84 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 13' ' ' ALA . 10.7 tp -139.62 64.13 28.94 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.154 -0.966 . . . . 3.94 109.469 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -68.81 0.73 4.56 Favored 'Trans proline' 0 C--N 1.32 -0.922 0 C-N-CA 121.406 1.404 . . . . 3.96 108.85 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -60.19 -77.84 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.709 -0.619 . . . . 3.43 109.859 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.77 -10.13 3.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.044 -1.035 . . . . 3.6 109.755 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.49 -67.21 0.82 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.036 -1.04 . . . . 3.28 110.068 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -86.35 -26.76 24.67 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.216 -0.927 . . . . 3.69 110.417 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.71 -51.44 9.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.628 -1.295 . . . . 3.32 109.96 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.64 42.85 45.48 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 108.334 -1.906 . . . . 3.7 108.334 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.65 145.83 46.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.625 -0.926 . . . . 4.08 109.771 -178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 22' ' ' SER . 44.4 m -93.18 143.55 26.15 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.321 -0.862 . . . . 5.16 109.332 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.87 -4.1 2.03 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.066 -1.213 . . . . 5.28 110.066 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 20' ' ' THR . 58.4 m -101.38 134.02 45.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.322 -1.105 . . . . 4.97 108.428 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.08 73.24 1.19 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 107.988 -2.045 . . . . 4.02 107.988 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -57.93 138.13 84.46 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.306 1.338 . . . . 3.58 110.558 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 tt -76.85 165.59 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.737 -0.838 . . . . 3.17 108.737 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.605 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 9.3 tm0? -83.59 155.14 23.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 1.99 108.46 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 7.5 tt -55.52 -56.23 22.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.142 -0.974 . . . . 2.17 112.565 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.427 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 53.2 p-90 -76.07 -30.25 58.28 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.359 -1.463 . . . . 1.28 111.115 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.64 -39.29 80.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.463 -1.398 . . . . 2.89 107.411 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -67.88 -49.86 59.66 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.416 0.626 . . . . 0.95 109.377 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.458 -0.776 . . . . 2.08 108.99 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -47.92 79.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.52 -0.737 . . . . 2.46 110.197 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -58.46 -43.25 88.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.708 -1.245 . . . . 2.46 109.933 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.76 -27.65 66.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.082 . . . . 2.1 108.759 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -59.54 -48.48 81.49 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 109.135 -0.691 . . . . 1.97 109.135 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -104.8 62.12 0.7 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.084 -1.01 . . . . 2.13 109.922 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 67.0 t0 -136.15 -120.61 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.453 -0.78 . . . . 3.08 109.243 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 39' ' ' SER . 6.2 ttpm? -55.48 163.61 1.22 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.174 -0.954 . . . . 3.68 108.92 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 16.8 t -60.45 -38.57 84.59 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.027 -1.101 . . . . 2.78 108.027 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' ILE . 35.5 m 58.69 16.6 4.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.763 -0.829 . . . . 2.54 108.763 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 44' ' ' ILE . 6.0 tm0? -67.13 -41.19 86.54 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.594 -0.691 . . . . 3.73 110.67 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -73.81 -30.04 62.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.127 -0.983 . . . . 2.79 110.465 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -107.69 6.69 27.96 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.072 -1.017 . . . . 1.84 109.12 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -169.15 -175.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.534 -1.284 . . . . 1.68 107.534 -178.328 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.496 ' N ' ' CG2' ' A' ' 44' ' ' ILE . 43.0 t -129.95 104.91 7.64 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.195 -0.941 . . . . 2.19 109.276 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.415 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -94.24 127.71 40.26 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.704 -1.221 . . . . 1.46 107.704 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 52' ' ' GLU . 3.6 m -61.13 135.54 57.79 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.101 -0.999 . . . . 2.47 110.913 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.23 6.37 82.53 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.579 -1.408 . . . . 2.13 109.579 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' H ' HG21 ' A' ' 47' ' ' THR . 93.8 m-20 -126.44 -94.37 0.46 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.465 -1.021 . . . . 3.56 110.697 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.07 -117.5 0.7 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.48 -1.048 . . . . 1.46 110.48 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.408 ' N ' ' OE2' ' A' ' 52' ' ' GLU . 2.9 t90 -140.17 57.35 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.861 . . . . 1.22 109.102 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 47' ' ' THR . 2.1 mp0 -97.0 77.67 2.76 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 105.945 -1.872 . . . . 2.5 105.945 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -83.98 130.88 34.87 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.347 0.594 . . . . 0.89 110.198 -176.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -141.13 146.92 37.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.37 -0.974 . . . . 2.82 108.37 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 9.5 mp -91.95 99.21 12.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.099 -1.001 . . . . 1.9 110.019 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.5 p -74.5 -49.37 22.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 1.97 110.86 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -139.75 76.98 28.28 Favored Pre-proline 0 N--CA 1.509 2.488 0 O-C-N 120.882 -1.136 . . . . 2.54 111.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -77.54 54.52 4.78 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.745 1.63 . . . . 1.09 109.738 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -71.58 -40.91 69.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.91 -1.119 . . . . 2.89 110.582 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -90.03 -32.96 16.52 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.834 -1.166 . . . . 3.15 109.661 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.02 -44.31 92.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.375 -0.972 . . . . 1.35 108.375 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.27 95.09 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.699 -0.852 . . . . 1.4 108.699 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -60.39 -43.61 96.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.006 -1.059 . . . . 4.21 109.098 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.523 HH22 ' HZ1' ' A' ' 67' ' ' LYS . 3.1 mmp_? -68.88 -40.54 79.17 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.864 . . . . 4.01 110.576 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.403 ' CD1' ' NZ ' ' A' ' 69' ' ' LYS . 22.9 t-105 -66.06 -42.67 89.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.93 . . . . 1.23 109.616 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.78 -30.5 55.96 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.027 -1.229 . . . . 1.11 110.027 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.523 ' HZ1' HH22 ' A' ' 64' ' ' ARG . 82.2 tttt -66.03 -40.14 90.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.127 -1.219 . . . . 3.18 110.361 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.552 ' CG ' HH11 ' A' ' 68' ' ' ARG . 0.3 OUTLIER -59.39 -10.48 3.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.857 -1.152 . . . . 4.48 109.135 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 58.9 mttp -93.12 9.07 37.49 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.117 -0.989 . . . . 3.03 110.416 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.1 m120 52.09 41.65 30.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.79 -1.194 . . . . 3.8 108.79 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 72' ' ' PRO . 4.6 mtpp -148.9 159.82 36.77 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.263 -0.898 . . . . 2.86 109.045 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 71' ' ' LYS . 5.6 Cg_exo -49.87 -175.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 121.192 1.261 . . . . 3.55 110.925 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -91.29 128.74 37.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.563 -0.71 . . . . 5.62 109.924 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 56.3 tpp -108.92 158.03 18.07 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 108.62 -0.882 . . . . 2.66 108.62 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -63.07 167.09 5.18 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 122.048 0.928 . . . . 1.68 111.95 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.482 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 63.3 t80 -63.99 -20.64 66.04 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.537 -0.542 . . . . 1.51 109.537 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.13 -27.54 46.04 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.088 -1.008 . . . . 2.53 108.59 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 40.3 pttt -59.36 -41.38 89.14 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.781 -0.822 . . . . 4.61 108.781 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.8 mt -68.58 -44.95 73.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.308 -0.87 . . . . 1.76 110.279 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 m -60.73 -44.17 96.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.857 -1.152 . . . . 1.86 110.088 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.558 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -63.65 -40.2 96.26 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.557 -0.714 . . . . 5.47 110.496 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.47 -44.65 6.1 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 119.694 -1.241 . . . . 0.85 110.645 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.14 -40.96 91.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -1.094 . . . . 2.17 109.676 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.692 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -61.09 -35.93 78.3 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.537 -1.352 . . . . 2.92 109.314 179.626 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.692 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 70.5 t80 -76.5 -9.09 58.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.222 -0.924 . . . . 1.64 109.702 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.4 t80 -73.89 11.94 0.78 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 1.27 110.856 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.508 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.4 m-85 -76.13 11.2 1.57 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.898 -1.126 . . . . 2.28 109.634 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -74.41 -33.98 63.15 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.702 -1.222 . . . . 2.74 107.702 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -108.58 137.05 47.17 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.399 -1.334 . . . . 3.0 107.399 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -76.72 90.02 3.41 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.013 -1.106 . . . . 3.23 108.013 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.608 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.2 tp -138.3 -84.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-N 116.157 -0.474 . . . . 1.93 110.434 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.608 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 10.5 tt -98.44 132.63 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.837 -1.165 . . . . 1.67 110.781 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.508 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 12.7 m-70 -128.77 115.21 17.61 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.023 -1.103 . . . . 2.31 108.023 178.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.489 ' NZ ' ' OP1' ' B' ' 7' ' ' ' DC' . 0.0 OUTLIER -80.68 174.87 11.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.006 -1.059 . . . . 3.29 110.018 -178.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 97' ' ' GLY . 6.7 m -87.69 141.34 28.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.022 -1.049 . . . . 1.62 108.213 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.8 17.28 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 2.87 110.184 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -81.86 -123.54 0.69 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 109.309 -1.516 . . . . 2.32 109.309 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -142.36 -41.7 0.33 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.68 -0.894 . . . . 3.99 110.035 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.22 163.91 1.47 Allowed 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.773 0.796 . . . . 6.26 110.752 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.439 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 35.8 m-85 -73.94 48.35 0.29 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.627 -0.671 . . . . 1.66 109.835 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.84 122.58 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.133 -0.979 . . . . 1.63 109.558 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.482 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 66.5 m-85 -119.29 153.98 34.21 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.889 -0.782 . . . . 1.6 108.889 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -149.75 158.07 43.82 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.631 -0.877 . . . . 3.34 108.631 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.526 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 28.8 m-85 -130.47 159.71 36.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 1.21 109.595 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.027 -0.987 . . . . 2.56 109.146 -179.384 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.629 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.348 1 O4'-C1'-N19 111.316 4.395 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.155 0 O4'-C1'-N19 110.636 3.545 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.698 1 O4'-C1'-N19 111.134 4.167 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 0 O4'-C1'-N19 110.995 3.994 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.983 5.228 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.664 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.357 0 O4'-C1'-N19 110.285 3.106 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.664 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.507 1 O4'-C1'-N19 111.654 4.818 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.521 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 111.361 4.451 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.027 4.034 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.182 4.227 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.451 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.876 1 O4'-C1'-N19 111.197 4.247 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.451 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.896 1 O4'-C1'-N19 111.972 5.215 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 1 O4'-C1'-N19 111.336 4.42 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.502 4.627 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.474 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.619 0 C3'-C2'-C1' 106.86 2.971 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.474 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.332 0 O4'-C1'-N19 110.724 3.655 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.988 1 O4'-C1'-N19 111.116 4.144 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.623 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.739 1 O4'-C1'-N19 111.226 4.282 . . . . 2.56 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.415 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.55 3.437 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 1 O4'-C1'-N19 111.266 4.333 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 1 O4'-C1'-N19 111.713 4.891 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.11 4.137 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.095 1 O4'-C1'-N19 111.785 4.982 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.556 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.543 4.04 0 O4'-C1'-N19 110.554 3.443 . . . . 1.24 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.556 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.115 1 O4'-C1'-N19 111.875 5.093 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.508 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.144 0 O4'-C1'-N19 110.652 3.565 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.508 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.391 4.489 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.481 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.391 1 O4'-C1'-N19 111.298 4.372 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.516 ' N2 ' ' C2 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.928 5.16 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.516 ' C2 ' ' N2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O4'-C1'-N19 110.823 3.779 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 1 O4'-C1'-N19 111.503 4.628 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.427 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.55 3.437 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.548 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.809 3.762 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.548 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.168 0 O4'-C1'-N19 110.738 3.672 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.382 0.61 . . . . 3.84 109.815 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.589 ' C ' ' H ' ' A' ' 13' ' ' ALA . 3.1 pt -133.2 64.06 68.5 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.274 -0.891 . . . . 3.94 110.558 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' LEU . 3.0 Cg_exo -53.57 -4.06 0.2 Allowed 'Trans proline' 0 C--O 1.203 -1.255 0 N-CA-C 109.136 -1.14 . . . . 3.96 109.136 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.589 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -49.28 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.711 -1.243 . . . . 3.43 109.845 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.05 -17.39 64.88 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.0 -1.062 . . . . 3.6 109.458 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.76 -37.07 23.1 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.347 -0.845 . . . . 3.28 110.559 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' A' ' 12' ' ' PRO . 34.8 tp -80.2 -42.04 24.06 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.152 -0.968 . . . . 3.69 109.721 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.46 -35.08 40.86 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.408 -0.807 . . . . 3.32 109.696 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.22 53.86 10.81 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.015 -1.634 . . . . 3.7 109.015 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.11 128.14 34.93 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.508 -0.995 . . . . 4.08 108.799 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 22' ' ' SER . 0.6 OUTLIER -95.17 -176.26 3.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.338 -0.851 . . . . 5.16 109.118 -179.421 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' H ' HG21 ' A' ' 20' ' ' THR . . . -68.19 63.6 0.38 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.686 -1.766 . . . . 5.28 108.686 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 20' ' ' THR . 68.2 m -106.62 29.74 6.66 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.517 -0.99 . . . . 4.97 109.66 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.5 175.95 43.15 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 110.033 -1.227 . . . . 4.02 110.033 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -59.01 139.17 89.66 Favored 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.59 1.526 . . . . 3.58 110.429 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 tt -78.93 156.17 4.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 108.875 -0.787 . . . . 3.17 108.875 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 1.3 tm0? -80.16 143.5 33.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.059 -1.026 . . . . 1.99 109.274 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.553 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.9 tt -59.88 -49.91 75.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 2.17 112.245 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 62.7 p-90 -82.87 -33.34 27.02 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.132 -1.605 . . . . 1.28 111.586 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -58.43 -37.84 76.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.151 -1.593 . . . . 2.89 107.824 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 68' ' ' ARG . 15.1 t80 -70.32 -56.02 7.75 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.616 -0.678 . . . . 0.95 109.667 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.59 -46.34 87.18 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.953 -1.092 . . . . 2.08 108.711 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -59.83 -44.01 94.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.904 -1.123 . . . . 2.46 108.516 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -62.37 -41.18 98.42 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.681 -1.229 . . . . 2.46 107.681 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.406 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.77 -45.77 91.14 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.096 -1.446 . . . . 2.1 107.096 178.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.0 tp -49.94 -41.71 46.93 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.236 -0.653 . . . . 1.97 109.236 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -97.35 60.46 1.63 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.311 -0.868 . . . . 2.13 110.022 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -119.08 -139.66 0.35 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.52 -0.737 . . . . 3.08 109.624 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.581 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 7.8 ttpt -56.82 -177.97 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.362 -0.836 . . . . 3.68 108.753 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.541 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 22.5 m -67.91 -34.2 76.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.042 -1.036 . . . . 2.78 108.873 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.581 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 64.2 m 56.11 17.36 2.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.562 -0.711 . . . . 2.54 109.814 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.11 -44.9 94.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.815 -1.178 . . . . 3.73 110.927 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -4.17 52.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.971 -1.081 . . . . 2.79 110.239 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 9.8 m-85 -118.28 -17.6 9.47 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.268 -0.895 . . . . 1.84 109.342 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.4 tt -163.79 -167.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 108.061 -1.089 . . . . 1.68 108.061 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -128.1 122.05 31.11 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.891 -1.13 . . . . 2.19 110.444 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 108.06 15.52 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.541 -1.281 . . . . 1.46 107.541 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.1 p -70.06 159.43 33.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.847 -1.158 . . . . 2.47 109.891 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 52.99 0.67 Allowed Glycine 0 N--CA 1.497 2.703 0 N-CA-C 108.731 -1.748 . . . . 2.13 108.731 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -113.66 -149.69 0.45 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.64 -0.918 . . . . 3.56 109.121 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.69 -54.24 6.06 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.109 -1.596 . . . . 1.46 109.109 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -165.62 79.25 0.3 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.087 -1.243 . . . . 1.22 109.164 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.37 130.29 40.51 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.918 -0.771 . . . . 2.5 108.918 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -123.59 136.5 54.56 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.547 -0.72 . . . . 0.89 110.263 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -126.32 139.82 53.0 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.946 -0.761 . . . . 2.82 108.946 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -95.54 108.48 20.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.57 -0.706 . . . . 1.9 110.437 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -82.09 -65.76 0.97 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.936 -1.102 . . . . 1.97 109.286 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' ASP . 69.5 m-20 -147.26 72.35 12.0 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.103 -0.998 . . . . 2.54 110.757 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.93 64.44 0.22 Allowed 'Trans proline' 0 C--N 1.315 -1.198 0 C-N-CA 121.329 1.352 . . . . 1.09 110.449 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' ASP . 63.1 t0 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.729 -1.232 . . . . 2.89 110.474 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -80.51 -29.89 37.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 3.15 110.233 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.7 -44.12 79.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 1.35 110.508 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.23 82.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.026 -1.046 . . . . 1.4 109.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 9.3 mpt_? -67.01 -43.31 83.2 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.501 -0.749 . . . . 4.21 109.591 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' A' ' 64' ' ' ARG . 0.6 OUTLIER -63.93 -40.09 95.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.914 -1.116 . . . . 4.01 109.555 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -60.57 -34.17 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.19 -0.944 . . . . 1.23 109.106 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.09 -29.87 59.92 Favored Glycine 0 N--CA 1.493 2.491 0 C-N-CA 120.463 -0.875 . . . . 1.11 111.064 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -66.34 -40.47 89.87 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.854 -1.38 . . . . 3.18 111.401 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 30' ' ' PHE . 35.5 ttm180 -58.73 -25.63 63.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.992 -1.068 . . . . 4.48 109.773 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' NZ ' ' CB ' ' A' ' 69' ' ' LYS . 6.7 mtpm? -91.82 9.96 30.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.399 -0.813 . . . . 3.03 109.161 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.5 m120 55.45 50.46 14.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 3.8 110.392 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 72' ' ' PRO . 57.5 mttp -138.85 151.67 68.85 Favored Pre-proline 0 N--CA 1.496 1.831 0 N-CA-C 108.87 -0.789 . . . . 2.86 108.87 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.3 Cg_exo -55.23 -166.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.067 0 N-CA-C 108.465 -1.398 . . . . 3.55 108.465 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -85.33 142.57 29.23 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.734 -1.229 . . . . 5.62 110.053 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mtp -131.85 163.96 27.12 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.819 0.819 . . . . 2.66 110.181 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -68.22 156.52 37.45 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.927 0.87 . . . . 1.68 111.293 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -61.27 -12.31 12.94 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.422 0.63 . . . . 1.51 109.603 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -58.12 -37.64 74.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.347 -0.846 . . . . 2.53 110.355 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.83 -33.51 68.7 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.91 -1.118 . . . . 4.61 109.937 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.8 mt -67.93 -46.38 71.66 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.366 -0.934 . . . . 1.76 108.484 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -67.23 -43.32 82.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.849 -1.157 . . . . 1.86 108.897 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.5 ' O ' ' CZ ' ' A' ' 84' ' ' ARG . 35.8 ttp180 -68.0 -40.34 83.03 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.582 0.706 . . . . 5.47 109.381 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.85 -44.31 5.78 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 121.014 -1.054 . . . . 0.85 111.314 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 79' ' ' LEU . 7.2 tt -64.88 -36.26 83.77 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.791 -1.417 . . . . 2.17 109.989 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.559 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -56.48 -44.41 80.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.666 -1.271 . . . . 2.92 109.158 -178.774 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.432 ' H ' ' HG3' ' A' ' 84' ' ' ARG . 66.0 t80 -61.09 -13.12 14.93 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.82 -1.175 . . . . 1.64 108.52 178.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.47 ' C ' ' H ' ' A' ' 88' ' ' ASP . 4.2 t80 -76.54 6.78 5.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.542 -0.724 . . . . 1.27 111.608 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 34.6 m-85 -80.27 20.91 0.64 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.132 -1.605 . . . . 2.28 108.26 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 86' ' ' TYR . 95.7 m-20 -72.49 -37.64 68.37 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.806 -1.183 . . . . 2.74 107.806 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -108.76 136.38 48.42 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.138 -1.431 . . . . 3.0 107.138 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -77.81 86.82 4.05 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.623 -1.231 . . . . 3.23 108.049 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -127.4 -44.31 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 CA-C-N 115.311 -0.859 . . . . 1.93 109.334 -178.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.472 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 5.3 tt -137.97 129.75 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.924 -1.11 . . . . 1.67 109.186 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -120.3 147.89 44.42 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 2.31 109.199 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -73.66 143.28 46.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.465 -0.772 . . . . 3.29 110.08 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -96.43 128.24 43.17 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.747 . . . . 1.62 109.409 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.68 47.13 1.46 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.724 -1.235 . . . . 2.87 108.669 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.81 -73.91 1.28 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.556 -1.018 . . . . 2.32 110.556 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -111.83 -71.11 0.77 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.307 -1.114 . . . . 3.99 110.285 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -170.97 -57.39 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.234 -0.916 . . . . 6.26 108.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.61 27.11 3.15 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.176 -0.675 . . . . 1.66 109.176 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.19 124.47 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.395 -0.815 . . . . 1.63 110.837 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -115.64 151.88 34.18 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.53 -0.731 . . . . 1.6 109.581 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -148.89 149.88 32.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.135 -0.978 . . . . 3.34 109.219 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 17.0 m-85 -118.61 150.92 38.88 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.616 0.722 . . . . 1.21 110.416 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.84 -1.076 . . . . 2.56 109.176 -179.615 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.547 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.879 3.849 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.547 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 111.232 4.29 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 1 O4'-C1'-N19 111.428 4.535 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.429 1 O4'-C1'-N19 111.396 4.494 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 111.627 4.784 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.401 ' OP1' ' CE2' ' A' ' 100' ' ' TYR . . . . . . . . 0 C5'--C4' 1.535 3.055 0 C3'-C2'-C1' 106.998 3.07 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.649 ' N4 ' ' HE ' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 112.109 5.386 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.604 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.77 1 O4'-C1'-N19 111.223 4.279 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 1 O4'-C1'-N19 111.091 4.114 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 1 O4'-C1'-N19 111.341 4.426 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.442 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.739 1 O4'-C1'-N19 111.191 4.239 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.442 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.759 4.948 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.436 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.513 1 O4'-C1'-N19 111.172 4.215 . . . . 1.29 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.436 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.275 1 O4'-C1'-N19 111.779 4.974 . . . . 1.35 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.413 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C1'-N19 110.531 3.414 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 111.795 4.994 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.477 1 O4'-C1'-N19 112.078 5.347 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.555 H2'' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.768 3.71 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.555 " O5'" H2'' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C1'-N19 110.459 3.323 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.428 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.682 4.852 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.464 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.867 3.833 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.464 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.285 0 O4'-C1'-N19 110.835 3.794 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.947 5.183 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.438 3.297 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 1 O4'-C1'-N19 111.076 4.095 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.382 1 O4'-C1'-N19 111.952 5.19 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.577 ' H42' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.152 4.19 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.515 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.837 1 O4'-C1'-N19 111.041 4.051 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.306 1 O4'-C1'-N19 112.187 5.483 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.489 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.7 0 O4'-C1'-N19 110.691 3.613 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.489 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.438 4.548 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.545 3.431 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.541 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.868 0 O4'-C1'-N19 110.985 3.981 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.541 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.23 0 O4'-C1'-N19 110.731 3.663 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.337 0.589 . . . . 3.84 109.532 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.455 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 3.3 tp -141.51 59.34 9.95 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.253 -0.904 . . . . 3.94 109.011 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 11.9 Cg_endo -69.8 -2.39 10.11 Favored 'Trans proline' 0 C--N 1.319 -0.994 0 N-CA-C 108.323 -1.453 . . . . 3.96 108.323 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.92 -64.93 0.84 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.527 -0.733 . . . . 3.43 109.349 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.84 -28.34 68.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.681 -0.637 . . . . 3.6 109.566 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.41 50.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.201 -0.937 . . . . 3.28 109.522 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.9 mt -81.39 -40.66 23.12 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.129 -0.982 . . . . 3.69 109.138 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.05 -49.03 12.35 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.915 -1.115 . . . . 3.32 109.067 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.48 -5.27 80.4 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.373 -1.091 . . . . 3.7 110.373 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.525 ' OH ' ' NH1' ' A' ' 68' ' ' ARG . 1.6 p90 -74.88 123.54 25.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.853 -1.38 . . . . 4.08 108.467 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.513 ' CG2' ' H ' ' A' ' 21' ' ' GLY . 2.8 m -101.4 -139.55 0.34 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.3 -0.875 . . . . 5.16 109.422 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.513 ' H ' ' CG2' ' A' ' 20' ' ' THR . . . -72.85 -8.93 74.37 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.829 -1.309 . . . . 5.28 109.829 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 t -103.02 129.04 49.65 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.375 -1.073 . . . . 4.97 108.343 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.08 68.01 1.42 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.065 -1.614 . . . . 4.02 109.065 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -52.85 132.46 46.93 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.265 1.31 . . . . 3.58 111.287 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 14.7 tt -77.49 168.56 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 109.082 -0.71 . . . . 3.17 109.082 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.567 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.2 tm0? -86.87 152.52 22.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.214 -0.929 . . . . 1.99 108.919 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.567 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 9.4 tt -56.07 -56.28 22.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 2.17 112.163 -178.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.545 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.6 p-90 -76.54 -31.7 57.77 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.132 -1.605 . . . . 1.28 110.645 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.38 -42.8 92.51 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 118.244 -1.383 . . . . 2.89 107.28 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -62.85 -54.08 44.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.449 -0.782 . . . . 0.95 109.216 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.37 -41.81 97.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 2.08 109.891 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.63 -46.52 87.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.959 . . . . 2.46 109.95 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.92 -43.87 97.97 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.787 -1.195 . . . . 2.46 108.815 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -65.27 -28.13 69.13 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.108 -0.701 . . . . 2.1 109.108 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 5.2 tp -56.08 -40.3 73.41 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.49 -0.756 . . . . 1.97 109.58 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -121.94 55.69 1.11 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.472 -0.768 . . . . 2.13 109.507 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -125.73 -104.44 0.35 Allowed 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.507 -0.746 . . . . 3.08 109.193 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.558 ' NZ ' ' HG ' ' A' ' 40' ' ' CYS . 2.7 pptp? -53.42 161.67 0.93 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.299 -0.876 . . . . 3.68 109.146 179.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -67.55 115.54 7.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.328 -1.36 . . . . 2.78 107.328 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HG ' ' NZ ' ' A' ' 38' ' ' LYS . 76.2 m -90.61 27.85 1.64 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.556 -0.715 . . . . 2.54 109.669 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -97.27 -39.03 9.44 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.223 -0.923 . . . . 3.73 111.393 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -79.21 -29.63 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.96 -1.088 . . . . 2.79 112.212 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CE2' ' CD ' ' A' ' 60' ' ' GLU . 96.8 m-85 -110.64 1.78 18.21 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.921 -1.112 . . . . 1.84 110.893 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.53 ' CG1' ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -171.8 173.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 118.461 -1.296 . . . . 1.68 109.542 -177.376 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 41.5 t -114.23 102.69 10.37 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.211 -0.93 . . . . 2.19 109.111 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.456 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.35 87.84 2.72 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.046 -1.464 . . . . 1.46 107.046 179.502 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -58.86 141.71 52.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.993 -1.067 . . . . 2.47 109.645 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.76 47.27 1.19 Allowed Glycine 0 N--CA 1.499 2.869 0 N-CA-C 109.858 -1.297 . . . . 2.13 109.858 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -112.59 -97.52 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.383 -1.069 . . . . 3.56 109.527 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.35 -102.0 0.6 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 108.809 -1.716 . . . . 1.46 108.809 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -156.62 82.21 0.96 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.229 -1.159 . . . . 1.22 109.408 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' OE2' ' CZ ' ' A' ' 103' ' ' ARG . 81.0 mm-40 -132.92 128.91 37.56 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.543 -1.28 . . . . 2.5 107.543 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -119.37 123.69 44.76 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.436 -0.79 . . . . 0.89 109.51 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -129.57 118.02 21.35 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.269 -0.894 . . . . 2.82 109.752 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -85.05 98.69 10.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.68 -0.637 . . . . 1.9 109.396 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.434 ' HG ' ' HA ' ' A' ' 44' ' ' ILE . 82.9 p -76.09 -39.28 55.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.09 -1.006 . . . . 1.97 110.066 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 59' ' ' ASP . 86.2 m-20 -134.74 71.44 70.37 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.317 -0.865 . . . . 2.54 109.883 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -72.18 33.05 0.28 Allowed 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.266 1.311 . . . . 1.09 110.114 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' A' ' 57' ' ' ASP . 97.3 m-20 -69.89 -40.89 75.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.614 -1.304 . . . . 2.89 110.814 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 81.7 mt-10 -79.35 -41.72 27.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.968 -1.082 . . . . 3.15 109.099 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.7 -40.73 88.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 108.625 -0.88 . . . . 1.35 108.625 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.31 88.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.935 -1.103 . . . . 1.4 108.095 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.66 -44.11 87.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.535 -0.728 . . . . 4.21 109.289 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -59.38 -44.25 92.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 4.01 110.015 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -64.55 -37.19 86.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.554 -0.716 . . . . 1.23 110.173 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.48 -48.18 45.89 Favored Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.234 -0.984 . . . . 1.11 111.59 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -67.22 -14.76 63.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.773 -1.428 . . . . 3.18 111.219 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.525 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -59.24 -36.09 74.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.704 -1.248 . . . . 4.48 109.963 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -104.29 18.72 21.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.177 -0.952 . . . . 3.03 109.973 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 59.37 59.94 2.48 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.196 -0.94 . . . . 3.8 109.558 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.23 149.7 70.34 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 106.817 -1.549 . . . . 2.86 106.817 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -50.57 -86.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.088 0 N-CA-C 109.903 -0.845 . . . . 3.55 109.903 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.48 ' C ' ' SD ' ' A' ' 74' ' ' MET . 2.8 mptt -136.29 136.93 40.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.06 -1.025 . . . . 5.62 110.598 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.48 ' SD ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -115.76 115.81 26.95 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.881 -1.155 . . . . 2.66 107.881 178.048 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 28.0 p30 -71.86 178.83 3.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 1.68 110.893 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.01 -28.03 67.91 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.723 -0.611 . . . . 1.51 109.995 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 72.3 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 2.53 110.536 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -56.55 -36.31 69.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 4.61 109.334 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.6 mt -66.96 -41.54 86.7 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.734 -0.786 . . . . 1.76 109.576 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.0 p -64.91 -44.31 89.97 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.033 -1.067 . . . . 1.86 109.232 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.649 ' HE ' ' N4 ' ' B' ' 7' ' ' ' DC' . 97.6 mtt180 -70.17 -39.49 75.26 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.194 -0.941 . . . . 5.47 110.79 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -84.11 -51.33 4.0 Favored Glycine 0 N--CA 1.495 2.617 0 O-C-N 120.87 -1.144 . . . . 0.85 111.55 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.54 -28.61 69.98 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.094 -1.239 . . . . 2.17 110.205 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.467 HH12 " C2'" ' B' ' 7' ' ' ' DC' . 2.2 tmm_? -60.03 -48.17 82.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.567 -1.333 . . . . 2.92 108.988 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.52 -8.66 2.93 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.331 -0.856 . . . . 1.64 109.632 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.484 ' C ' ' H ' ' A' ' 88' ' ' ASP . 3.9 t80 -74.78 4.91 5.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.132 -0.98 . . . . 1.27 111.056 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -68.51 7.83 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.983 -1.073 . . . . 2.28 109.251 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 86' ' ' TYR . 62.2 t0 -72.05 -37.81 69.61 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.753 -0.832 . . . . 2.74 108.753 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -105.4 137.27 43.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.619 -1.252 . . . . 3.0 107.619 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -77.02 93.01 3.77 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.724 -1.235 . . . . 3.23 107.96 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.6 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -140.12 -84.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.837 -0.539 . . . . 1.93 110.463 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.6 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 12.8 tt -99.43 135.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.069 -1.019 . . . . 1.67 110.518 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -122.06 147.51 46.01 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.475 0.655 . . . . 2.31 109.499 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HZ2' ' P ' ' B' ' 7' ' ' ' DC' . 50.5 mtpt -81.65 152.33 27.18 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.785 0.802 . . . . 3.29 109.944 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.2 m -92.08 123.02 35.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.613 -0.679 . . . . 1.62 109.689 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.42 -8.98 59.5 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.338 -0.851 . . . . 2.87 109.149 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.16 -34.98 39.64 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.941 -1.264 . . . . 2.32 109.941 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -129.89 178.8 6.26 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.518 -0.99 . . . . 3.99 109.114 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.08 -29.48 9.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.572 -0.705 . . . . 6.26 111.132 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.401 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 71.2 m-85 -105.54 10.41 33.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.105 -0.997 . . . . 1.66 110.761 -178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.1 130.69 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.128 -0.983 . . . . 1.63 111.956 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -105.69 156.13 18.58 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.067 -1.086 . . . . 1.6 108.067 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.43 ' CZ ' ' OE2' ' A' ' 52' ' ' GLU . 58.6 ttt180 -145.15 150.99 37.74 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.166 -1.05 . . . . 3.34 108.166 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 21.5 m-85 -122.58 164.42 18.2 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.518 -0.739 . . . . 1.21 110.029 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.163 -0.922 . . . . 2.56 109.393 -179.144 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.637 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.282 1 O4'-C1'-N19 111.278 4.347 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.508 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.249 0 O4'-C1'-N19 110.836 3.796 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.646 3.558 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.94 3.926 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.54 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.72 1 O4'-C1'-N19 111.801 5.001 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.55 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.543 3.984 0 C3'-C2'-C1' 106.867 2.977 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.55 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 112.347 5.683 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.421 1 O4'-C1'-N19 111.202 4.253 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.566 1 O4'-C1'-N19 112.784 6.23 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.592 1 O4'-C1'-N19 112.515 5.893 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.497 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.837 3.796 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.497 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.024 1 O4'-C1'-N19 111.578 4.722 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.031 1 O4'-C1'-N19 111.334 4.417 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.751 4.938 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.527 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.71 0 C3'-C2'-C1' 106.899 2.999 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.226 4.283 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.204 4.255 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 0 O4'-C1'-N19 110.991 3.988 . . . . 2.56 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.432 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.01 0 C3'-C2'-C1' 106.833 2.952 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.428 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.229 0 O4'-C1'-N19 110.842 3.802 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.425 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 112.308 5.635 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.425 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.324 1 O4'-C1'-N19 111.255 4.319 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.407 ' OP1' ' NE2' ' A' ' 26' ' ' GLN . . . . . . . . 0 C5'--C4' 1.542 3.877 1 O4'-C1'-N19 111.204 4.255 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.481 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.061 0 O4'-C1'-N19 110.502 3.377 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.557 ' N3 ' ' N4 ' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.799 1 O4'-C1'-N19 112.031 5.289 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.557 ' N4 ' ' N3 ' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.638 0 O4'-C1'-N19 110.558 3.447 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.509 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.893 3.866 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.295 4.369 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 112.156 5.445 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.429 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.167 4.209 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.429 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.491 1 O4'-C1'-N19 111.71 4.887 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C1'-N19 110.829 3.787 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.503 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.832 1 O4'-C1'-N19 111.322 4.402 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.503 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.489 1 O4'-C1'-N19 111.202 4.253 . . . . 2.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.449 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 33.1 t . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.198 0.523 . . . . 3.84 109.729 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 5.8 tp -137.53 61.3 30.37 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.053 -1.029 . . . . 3.94 108.952 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.32 -17.57 53.84 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.31 1.34 . . . . 3.96 108.718 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.36 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.751 -0.593 . . . . 3.43 110.468 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -5.95 2.11 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.896 . . . . 3.6 111.169 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.62 -74.56 0.44 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.798 -1.189 . . . . 3.28 110.393 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pp -93.49 -28.04 16.32 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.436 -0.79 . . . . 3.69 111.48 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.86 -17.9 42.22 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.968 -1.083 . . . . 3.32 109.486 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.98 76.62 0.15 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 108.351 -1.9 . . . . 3.7 108.351 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.404 ' OH ' ' N ' ' A' ' 25' ' ' ILE . 6.6 t80 -74.15 64.63 1.08 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.679 -0.895 . . . . 4.08 109.653 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.8 p -128.21 3.24 5.78 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.403 -0.962 . . . . 5.16 108.403 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.47 -88.33 0.01 OUTLIER Glycine 0 N--CA 1.483 1.795 0 N-CA-C 109.463 -1.455 . . . . 5.28 109.463 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 23' ' ' GLY . 32.9 t -147.8 111.88 5.16 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.373 -1.075 . . . . 4.97 110.451 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 22' ' ' SER . . . 37.24 -158.6 0.01 OUTLIER Glycine 0 N--CA 1.503 3.162 0 N-CA-C 110.248 -1.141 . . . . 4.02 110.248 178.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -60.65 138.15 77.99 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 121.063 1.176 . . . . 3.58 109.58 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.558 HG12 ' H ' ' A' ' 26' ' ' GLN . 10.9 tt -80.78 -149.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.196 -0.94 . . . . 3.17 108.832 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.596 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 11.6 tm0? -88.41 158.03 18.51 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.513 -1.367 . . . . 1.99 108.576 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.1 tt -60.03 -52.52 65.04 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.079 -1.013 . . . . 2.17 112.135 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.4 p-90 -77.0 -31.06 56.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.581 -1.324 . . . . 1.28 110.698 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' OE1' ' CZ3' ' A' ' 28' ' ' TRP . 15.0 mm100 -60.08 -41.9 93.43 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.24 -1.392 . . . . 2.89 107.24 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -65.66 -55.68 16.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.369 -0.832 . . . . 0.95 109.132 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.56 -42.66 98.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.533 -0.729 . . . . 2.08 110.319 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.77 -46.67 86.94 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.704 -1.247 . . . . 2.46 110.5 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.38 -49.86 75.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.922 -1.111 . . . . 2.46 110.684 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 tp -65.44 -39.77 92.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.872 -1.143 . . . . 2.1 108.46 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.575 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 8.5 tt -68.73 -9.82 52.88 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.053 -0.522 . . . . 1.97 110.212 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.558 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 94.1 m -68.86 -79.99 0.05 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 118.898 -1.121 . . . . 2.13 112.278 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -134.43 28.24 3.69 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.933 -1.104 . . . . 3.08 112.37 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HZ1' HG11 ' A' ' 10' ' ' VAL . 4.5 tmmm? -70.14 151.75 45.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.453 -1.405 . . . . 3.68 108.225 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -72.22 57.84 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 2.78 108.964 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.3 p -90.26 -8.92 49.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.505 -0.747 . . . . 2.54 110.391 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -57.77 -15.08 7.02 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 118.687 -1.205 . . . . 3.73 109.285 -178.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.1 m -75.18 -41.62 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.113 -0.992 . . . . 2.79 109.601 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.67 11.25 26.63 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.702 -1.221 . . . . 1.84 107.702 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -161.6 -167.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.868 -1.53 . . . . 1.68 106.868 -179.38 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.495 ' N ' ' CG2' ' A' ' 44' ' ' ILE . 40.2 t -140.61 120.75 13.79 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.837 -1.165 . . . . 2.19 110.286 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.575 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -105.12 109.34 21.29 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.005 -1.48 . . . . 1.46 107.005 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 52' ' ' GLU . 13.2 t -52.77 148.03 8.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.721 -1.237 . . . . 2.47 109.792 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.24 25.46 23.37 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 108.41 -1.876 . . . . 2.13 108.41 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -115.3 -103.75 0.41 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.422 -1.046 . . . . 3.56 110.062 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.84 -110.81 0.77 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.958 -1.257 . . . . 1.46 109.958 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -139.38 84.68 2.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.596 -0.943 . . . . 1.22 109.677 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' H ' HG23 ' A' ' 47' ' ' THR . 92.1 mt-10 -132.7 130.95 40.72 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.593 -1.262 . . . . 2.5 107.593 178.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -121.4 130.78 53.8 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.247 -0.908 . . . . 0.89 109.101 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -116.6 116.52 27.74 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.234 -0.916 . . . . 2.82 111.111 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mt -87.37 75.29 9.27 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.819 -0.808 . . . . 1.9 108.819 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -78.46 -49.66 13.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.605 -0.685 . . . . 1.97 111.911 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -134.72 69.07 72.09 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.157 -0.964 . . . . 2.54 111.082 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -67.22 69.88 0.61 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.589 1.526 . . . . 1.09 108.657 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 26.4 p-10 -69.57 -49.04 58.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.929 -1.107 . . . . 2.89 110.121 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 72.9 mm-40 -89.73 -32.64 16.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.918 -1.114 . . . . 3.15 109.78 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.32 -43.98 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.059 -1.025 . . . . 1.35 109.129 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.97 -46.6 74.14 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.115 -0.991 . . . . 1.4 109.259 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -65.3 -43.82 89.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.264 -0.897 . . . . 4.21 109.956 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -65.26 -43.93 89.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.212 -0.93 . . . . 4.01 110.578 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -62.07 -41.05 97.75 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.419 -0.801 . . . . 1.23 109.121 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.49 -37.56 11.97 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.644 -0.982 . . . . 1.11 110.644 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -64.44 -35.19 80.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.348 . . . . 3.18 108.808 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.3 -24.44 63.28 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.864 -1.161 . . . . 4.48 107.864 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -94.18 12.21 27.39 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.228 -0.656 . . . . 3.03 109.228 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 62.62 24.73 14.73 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 109.159 -0.682 . . . . 3.8 109.159 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 73' ' ' LYS . 35.0 mtmm -140.25 71.57 33.22 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.326 -0.858 . . . . 2.86 108.906 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -69.5 2.5 3.33 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.864 1.71 . . . . 3.55 109.168 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 71' ' ' LYS . 51.7 mtpt -91.0 -0.53 57.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 5.62 109.864 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mmt -81.62 124.56 29.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.2 -0.938 . . . . 2.66 110.218 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -72.49 177.3 4.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.575 -0.703 . . . . 1.68 110.227 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -64.05 -15.73 60.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.938 . . . . 1.51 109.556 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.76 -37.06 77.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.996 -1.065 . . . . 2.53 111.218 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -58.32 -29.26 65.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.424 -1.422 . . . . 4.61 109.425 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.96 -42.0 73.75 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.063 -1.023 . . . . 1.76 108.795 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.2 p -59.93 -45.23 93.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.108 . . . . 1.86 109.734 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.525 HH22 ' H41' ' B' ' 7' ' ' ' DC' . 28.9 ttm-85 -64.99 -39.9 94.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.236 -0.915 . . . . 5.47 109.999 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.55 -45.22 6.96 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.963 -1.113 . . . . 0.85 110.763 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.04 -40.45 96.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.092 -1.24 . . . . 2.17 110.22 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.623 ' C ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -56.96 -41.88 79.11 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.084 -1.635 . . . . 2.92 110.781 -178.171 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.408 ' H ' ' HG3' ' A' ' 84' ' ' ARG . 82.2 t80 -75.94 -6.99 53.5 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.759 -1.213 . . . . 1.64 110.087 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -76.34 6.04 6.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.179 -0.951 . . . . 1.27 112.08 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 15.7 m-85 -82.59 23.57 0.78 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.022 -1.674 . . . . 2.28 108.951 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.82 -41.06 68.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.156 -0.965 . . . . 2.74 108.964 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -107.52 142.41 37.45 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.83 -1.174 . . . . 3.0 107.83 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 23.3 p-10 -78.02 87.42 4.17 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.229 1.014 . . . . 3.23 109.628 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -137.32 -43.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.82 -1.178 . . . . 1.93 107.82 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.443 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 4.1 tt -140.13 133.84 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 1.67 109.204 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.502 ' NE2' ' CG1' ' A' ' 105' ' ' VAL . 4.8 p80 -137.71 155.95 48.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.463 -0.773 . . . . 2.31 109.556 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -71.25 143.96 50.21 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.695 -0.628 . . . . 3.29 110.033 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 97' ' ' GLY . 56.3 m -88.34 142.61 27.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 1.62 108.733 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.12 7.65 0.93 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.446 -0.783 . . . . 2.87 110.87 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -78.2 -98.52 0.22 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.005 -1.638 . . . . 2.32 109.005 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 18.7 mmmt -105.16 -178.82 3.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.604 -0.939 . . . . 3.99 109.457 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -85.1 -8.42 58.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.942 . . . . 6.26 109.24 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -105.12 -0.14 26.89 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.357 -0.839 . . . . 1.66 111.081 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.434 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 2.6 m -89.56 124.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.762 -1.211 . . . . 1.63 110.094 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -112.85 150.09 32.2 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.587 -0.894 . . . . 1.6 108.587 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -147.67 156.86 43.21 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.312 -0.867 . . . . 3.34 108.886 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 22.3 m-85 -130.23 161.59 30.85 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.49 0.662 . . . . 1.21 109.829 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.502 ' CG1' ' NE2' ' A' ' 93' ' ' HIS . 15.6 m . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 117.832 -1.08 . . . . 2.56 110.048 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.713 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.064 4.081 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.472 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.242 4.303 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.424 H2'' " O5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.957 3.947 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.464 ' C5 ' ' C6 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.927 1 O4'-C1'-N19 111.149 4.187 . . . . 1.3 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.464 ' C6 ' ' C5 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.628 4.785 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.489 H2'' " O4'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.416 0 O4'-C1'-N19 110.799 3.749 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.587 ' H42' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.08 1 O4'-C1'-N19 111.616 4.771 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.427 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.848 1 O4'-C1'-N19 111.006 4.008 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.427 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.457 4.571 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.552 4.689 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.523 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.002 1 O4'-C1'-N19 111.4 4.499 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.523 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.424 1 O4'-C1'-N19 111.521 4.651 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.438 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.543 4.028 1 O4'-C1'-N19 111.568 4.71 . . . . 1.29 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.438 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O4'-C1'-N19 111.313 4.391 . . . . 1.35 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.405 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.084 0 O4'-C1'-N19 110.512 3.39 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.428 H2'' " O5'" ' B' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.525 1 O4'-C1'-N19 111.272 4.339 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . 0.428 " O5'" H2'' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 111.172 4.215 . . . . 2.51 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.583 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.796 3.745 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.484 3.355 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.179 4.223 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.417 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.589 4.736 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.431 ' C2 ' ' O2 ' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 111.353 4.441 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.83 5.037 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.515 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.539 0 O4'-C1'-N19 110.557 3.446 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.515 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.475 4.594 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.725 3.656 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.476 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O4'-C1'-N19 110.742 3.677 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.476 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.938 0 O4'-C1'-N19 110.618 3.523 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 1 O4'-C1'-N19 111.77 4.963 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.429 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.954 0 O4'-C1'-N19 110.599 3.498 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.467 H2'' " O5'" ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.817 1 O4'-C1'-N19 111.832 5.04 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.467 " O5'" H2'' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.396 0 O4'-C1'-N19 110.201 3.001 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.412 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 111.019 4.024 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.412 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.83 3.787 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.438 0.637 . . . . 3.84 110.061 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' A' ' 11' ' ' ILE . 7.1 tp -141.17 74.41 24.96 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.222 -0.923 . . . . 3.94 108.63 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -74.01 -6.96 19.32 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 N-CA-C 108.843 -1.253 . . . . 3.96 108.843 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.12 -55.85 9.27 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.17 -0.956 . . . . 3.43 109.371 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.77 -18.05 65.06 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.047 -0.723 . . . . 3.6 109.047 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.77 -19.76 28.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.426 -0.796 . . . . 3.28 110.437 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -89.25 -79.72 0.32 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.122 -0.986 . . . . 3.69 109.76 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.54 -42.17 18.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.869 . . . . 3.32 109.934 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.96 80.32 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.531 -1.428 . . . . 3.7 109.531 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.4 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.0 p90 -75.09 125.96 30.02 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.805 -1.409 . . . . 4.08 109.368 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.564 ' C ' ' H ' ' A' ' 22' ' ' SER . 63.9 p -89.43 -175.69 4.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.59 -0.694 . . . . 5.16 109.888 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.02 -0.96 0.3 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 109.818 -1.313 . . . . 5.28 109.818 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.564 ' H ' ' C ' ' A' ' 20' ' ' THR . 47.2 t -101.5 129.91 47.65 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.848 -1.168 . . . . 4.97 107.848 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.77 63.85 3.48 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.92 -1.672 . . . . 4.02 108.92 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.49 136.57 70.34 Favored 'Trans proline' 0 C--N 1.318 -1.069 0 C-N-CA 121.166 1.244 . . . . 3.58 110.189 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.45 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.2 tt -77.94 -178.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 107.755 -1.202 . . . . 3.17 107.755 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.541 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 7.1 tm0? -78.75 151.8 31.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.646 -1.283 . . . . 1.99 108.363 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.541 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 11.9 tp -62.47 -66.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.912 -1.118 . . . . 2.17 111.21 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 48.0 p-90 -60.15 -35.71 75.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.18 . . . . 1.28 110.981 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.64 -40.2 86.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.396 -1.44 . . . . 2.89 107.429 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -68.92 -47.53 65.51 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.04 -1.096 . . . . 0.95 108.04 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -60.38 -45.16 94.53 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.326 -0.99 . . . . 2.08 108.326 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -52.76 64.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 2.46 109.432 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.9 -46.96 87.66 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.914 -1.143 . . . . 2.46 107.914 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -42.32 96.43 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.145 -1.057 . . . . 2.1 108.145 178.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.0 tt -45.78 -52.78 10.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.294 -0.879 . . . . 1.97 109.71 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -131.11 72.66 1.51 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.968 -1.082 . . . . 2.13 111.518 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 21.2 p-10 -109.26 -51.27 2.9 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.234 -0.916 . . . . 3.08 109.484 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 42.8 pttt -104.91 -160.77 0.78 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.846 -0.798 . . . . 3.68 108.846 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -66.83 -36.22 81.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.07 -1.019 . . . . 2.78 108.909 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 57.9 m 53.44 27.11 6.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 2.54 110.646 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.58 -48.0 5.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.013 -1.054 . . . . 3.73 110.425 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -77.62 -11.84 59.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.437 -0.789 . . . . 2.79 111.361 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -109.61 -12.47 14.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.079 -1.013 . . . . 1.84 109.636 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.563 ' CG1' ' H ' ' A' ' 45' ' ' SER . 7.5 tt -166.41 -176.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.194 -0.941 . . . . 1.68 109.721 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.563 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 31.4 t -113.9 110.53 20.25 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.28 -0.888 . . . . 2.19 111.131 -179.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.89 104.37 11.55 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 106.899 -1.519 . . . . 1.46 106.899 178.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -76.79 146.49 37.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.546 -1.346 . . . . 2.47 110.144 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.69 66.52 1.38 Allowed Glycine 0 N--CA 1.496 2.692 0 N-CA-C 109.707 -1.357 . . . . 2.13 109.707 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -122.92 -124.64 0.26 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.453 -1.028 . . . . 3.56 109.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.9 -81.9 0.75 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.548 -1.821 . . . . 1.46 108.548 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -159.89 76.46 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -1.157 . . . . 1.22 108.958 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -125.64 135.46 52.17 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.785 -1.191 . . . . 2.5 107.785 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -126.98 131.92 50.93 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.731 -0.606 . . . . 0.89 109.718 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -124.57 132.85 53.43 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.52 -0.737 . . . . 2.82 109.868 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mp -92.38 108.65 20.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.326 -0.858 . . . . 1.9 110.943 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.8 t -83.14 -67.7 0.77 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 1.97 109.817 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' ASP . 74.4 m-20 -143.75 71.13 17.19 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.373 -0.829 . . . . 2.54 110.562 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -65.15 50.67 0.21 Allowed 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.375 1.383 . . . . 1.09 109.33 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t0 -67.32 -39.44 85.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.903 -1.123 . . . . 2.89 109.288 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -73.75 -36.47 65.13 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.361 -0.837 . . . . 3.15 108.792 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.18 -37.76 78.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.735 -0.603 . . . . 1.35 110.093 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.33 90.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.737 -1.227 . . . . 1.4 109.206 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 -60.3 -45.45 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.343 -0.848 . . . . 4.21 109.049 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.44 HH11 ' HG2' ' A' ' 64' ' ' ARG . 25.4 mtt-85 -61.62 -40.25 94.17 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.146 -0.971 . . . . 4.01 109.74 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -64.49 -35.48 81.08 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.591 0.71 . . . . 1.23 109.692 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.35 -33.22 9.58 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.694 -0.765 . . . . 1.11 111.249 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.76 -41.05 94.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.671 -1.487 . . . . 3.18 110.261 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.96 -33.1 72.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.811 -1.181 . . . . 4.48 109.53 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -92.92 1.36 57.34 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.241 -0.912 . . . . 3.03 109.118 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 54.96 46.9 23.38 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 112.63 0.604 . . . . 3.8 112.63 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -95.39 159.49 32.65 Favored Pre-proline 0 N--CA 1.505 2.319 0 O-C-N 120.699 -1.251 . . . . 2.86 108.242 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -63.16 -61.15 0.14 Allowed 'Trans proline' 0 N--CA 1.48 0.71 0 C-N-CA 121.155 1.236 . . . . 3.55 109.468 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -134.01 145.29 49.33 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.348 -0.982 . . . . 5.62 108.348 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 30.4 ttm -126.59 99.76 5.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.267 -0.896 . . . . 2.66 109.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' ASN . 25.9 p30 -70.54 159.1 34.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.228 -0.92 . . . . 1.68 109.393 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.55 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 t80 -69.43 -21.43 63.74 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.365 -0.834 . . . . 1.51 109.208 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.556 ' OE2' ' NH2' ' A' ' 81' ' ' ARG . 57.3 tt0 -59.71 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.519 -0.738 . . . . 2.53 109.98 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.72 -39.55 68.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 4.61 110.07 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.45 -43.23 81.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.043 -1.036 . . . . 1.76 109.856 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' OP1' ' B' ' 7' ' ' ' DC' . 23.0 m -63.88 -45.09 90.97 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.24 . . . . 1.86 108.025 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.587 ' NH2' ' H42' ' B' ' 7' ' ' ' DC' . 85.6 mtt180 -68.63 -46.23 69.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.44 -0.788 . . . . 5.47 110.648 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -51.68 12.06 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.036 -1.078 . . . . 0.85 111.595 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.42 -30.98 69.97 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.958 -1.319 . . . . 2.17 110.855 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -52.7 -49.95 64.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.593 -1.317 . . . . 2.92 108.843 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.28 -12.15 8.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.455 -0.778 . . . . 1.64 110.584 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.53 ' C ' ' H ' ' A' ' 88' ' ' ASP . 2.6 t80 -72.3 2.31 6.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.101 -0.999 . . . . 1.27 110.427 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.71 6.08 0.38 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.48 -1.388 . . . . 2.28 109.182 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 86' ' ' TYR . 83.3 m-20 -69.5 -41.29 76.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.149 -1.056 . . . . 2.74 108.149 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.519 ' HZ3' ' NE2' ' A' ' 26' ' ' GLN . 49.2 mtmt -108.48 132.05 54.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.386 -1.339 . . . . 3.0 107.386 178.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.616 ' N ' HD21 ' A' ' 90' ' ' ASN . 0.0 OUTLIER -81.33 87.18 6.16 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.697 -1.252 . . . . 3.23 108.205 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -135.39 -49.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.695 -0.854 . . . . 1.93 108.695 -179.358 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.485 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -129.61 111.59 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.386 -0.968 . . . . 1.67 108.386 178.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -106.16 153.82 21.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.654 -0.654 . . . . 2.31 109.255 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -84.74 131.7 34.53 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.612 -1.255 . . . . 3.29 107.612 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.7 m -87.56 132.24 34.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.18 -0.95 . . . . 1.62 110.177 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.37 51.38 1.81 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.349 -0.845 . . . . 2.87 108.892 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.96 -84.68 0.84 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.715 -1.754 . . . . 2.32 108.715 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.475 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 82.2 tttt -120.75 -64.36 1.25 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.597 -0.943 . . . . 3.99 108.894 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -171.9 -38.84 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.065 -1.022 . . . . 6.26 110.797 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -103.42 25.34 9.73 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.041 -1.037 . . . . 1.66 108.283 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 1.8 t -92.55 119.19 39.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.742 0.782 . . . . 1.63 109.992 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 13.8 m-85 -116.59 151.86 35.36 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.11 -0.7 . . . . 1.6 109.11 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -154.05 156.23 36.94 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.802 -0.814 . . . . 3.34 108.802 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -120.71 152.75 37.85 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.707 -0.62 . . . . 1.21 109.585 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.881 -1.057 . . . . 2.56 109.309 -179.253 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.521 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.931 3.913 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.447 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.553 3.442 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.957 3.946 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.59 1 O4'-C1'-N19 111.328 4.411 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.461 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.537 1 O4'-C1'-N19 111.111 4.138 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.508 ' OP1' ' CE2' ' A' ' 100' ' ' TYR . . . . . . . . 0 C5'--C4' 1.54 3.66 1 O4'-C1'-N19 111.223 4.278 . . . . 1.26 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.416 ' N4 ' ' OE1' ' A' ' 77' ' ' GLU . . . . . . . . 0 C5'--C4' 1.541 3.809 0 O4'-C1'-N19 110.967 3.959 . . . . 1.39 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.466 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.651 0 O4'-C1'-N19 110.858 3.823 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.492 ' O6 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.922 3.903 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.433 " O5'" H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.374 1 O4'-C1'-N19 112.282 5.603 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.629 4.786 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.772 1 O4'-C1'-N19 111.944 5.179 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.481 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.233 1 O4'-C1'-N19 111.339 4.424 . . . . 1.29 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.481 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.971 1 O4'-C1'-N19 111.988 5.235 . . . . 1.35 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.465 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.104 0 O4'-C1'-N19 110.883 3.853 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 1 O4'-C1'-N19 111.601 4.751 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.461 4.576 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 111.321 4.401 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.475 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.405 0 O4'-C1'-N19 110.3 3.126 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.416 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.983 3.979 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 111.581 4.726 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.75 3.688 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.455 ' OP2' ' NZ ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.848 1 O4'-C1'-N19 111.963 5.204 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.43 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.894 1 O4'-C1'-N19 111.175 4.219 . . . . 1.24 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.527 H2'' " O5'" ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.913 1 O4'-C1'-N19 112.504 5.88 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.787 1 O4'-C1'-N19 111.995 5.244 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.314 1 O4'-C1'-N19 111.042 4.052 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 1 O4'-C1'-N19 111.317 4.397 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.567 4.708 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.532 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.549 4.698 0 O4'-C1'-N19 110.765 3.706 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.532 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.424 4.53 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.673 3.592 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.539 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.65 3.563 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.539 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.725 0 O4'-C1'-N19 110.796 3.745 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.772 0.796 . . . . 3.84 109.141 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.528 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -143.9 61.8 9.85 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 108.014 -1.106 . . . . 3.94 108.014 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -66.98 -4.92 12.29 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 N-CA-C 108.989 -1.196 . . . . 3.96 108.989 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.39 89.75 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.623 -0.673 . . . . 3.43 109.617 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.23 94.64 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.158 -0.964 . . . . 3.6 110.319 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.19 -27.51 22.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.97 -1.081 . . . . 3.28 109.68 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.5 tp -83.89 -10.52 57.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -0.915 . . . . 3.69 109.439 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.88 -89.7 0.06 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 120.803 -1.186 . . . . 3.32 109.002 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.74 33.72 55.79 Favored Glycine 0 N--CA 1.484 1.895 0 N-CA-C 107.873 -2.091 . . . . 3.7 107.873 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.504 ' OH ' ' NE2' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -73.86 80.02 1.62 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.544 -0.974 . . . . 4.08 110.384 -178.442 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -115.2 -29.7 6.54 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.527 -0.916 . . . . 5.16 108.527 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -42.94 98.36 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 109.997 -1.241 . . . . 5.28 109.997 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.6 m -100.23 -8.99 22.9 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.228 -1.16 . . . . 4.97 109.122 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.42 -118.11 6.54 Favored Glycine 0 CA--C 1.55 2.275 0 C-N-CA 120.046 -1.073 . . . . 4.02 111.049 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -56.34 130.71 41.57 Favored 'Trans proline' 0 N--CA 1.479 0.673 0 CA-C-N 118.895 1.347 . . . . 3.58 110.243 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.0 tp -83.76 146.96 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.372 -0.83 . . . . 3.17 109.468 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 3.6 tm0? -88.9 153.72 20.82 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.976 -1.077 . . . . 1.99 108.91 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.566 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 9.8 tt -56.54 -56.53 20.16 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.755 -1.215 . . . . 2.17 112.242 -178.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.501 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 59.1 p-90 -74.54 -31.14 62.02 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.366 -1.459 . . . . 1.28 110.884 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.504 ' NE2' ' OH ' ' A' ' 19' ' ' TYR . 36.1 tt0 -59.85 -39.87 86.66 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.401 -1.333 . . . . 2.89 107.401 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -65.32 -56.36 13.1 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.482 -0.933 . . . . 0.95 108.482 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.9 -43.94 94.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.678 -0.639 . . . . 2.08 110.01 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -44.17 97.17 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.792 -1.193 . . . . 2.46 109.274 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -64.97 -44.25 89.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.803 -1.185 . . . . 2.46 108.223 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -42.66 94.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.316 -1.365 . . . . 2.1 107.316 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.31 -40.01 47.37 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.575 -0.703 . . . . 1.97 109.864 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -108.07 50.29 0.78 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.278 -0.889 . . . . 2.13 110.339 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -107.46 -115.3 0.27 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.139 -0.975 . . . . 3.08 109.67 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.556 ' NZ ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pttt -64.6 -171.63 0.06 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.219 -0.926 . . . . 3.68 110.091 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.509 ' C ' ' H ' ' A' ' 41' ' ' GLN . 32.8 t -69.14 -44.28 72.64 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.706 -0.85 . . . . 2.78 108.706 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ILE . 5.0 t 59.24 1.3 0.22 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.488 -0.757 . . . . 2.54 109.902 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' A' ' 39' ' ' SER . 24.8 mt-30 -59.84 -40.25 87.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.981 . . . . 3.73 110.192 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 43' ' ' PHE . 82.7 p -79.51 -10.89 59.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 2.79 109.684 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' NZ ' ' A' ' 38' ' ' LYS . 87.6 m-85 -111.47 -15.21 13.59 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.54 -0.725 . . . . 1.84 109.832 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.9 tt -164.31 -178.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.347 -0.941 . . . . 1.68 109.422 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 t -113.54 111.29 21.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.168 -0.957 . . . . 2.19 110.324 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 109.88 19.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 106.283 -1.747 . . . . 1.46 106.283 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -55.87 142.77 33.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.59 -1.319 . . . . 2.47 109.608 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.35 17.73 55.04 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.166 -1.573 . . . . 2.13 109.166 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -109.15 -106.52 0.35 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.43 -1.041 . . . . 3.56 110.977 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -110.41 0.32 Allowed Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.099 -1.601 . . . . 1.46 109.099 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -143.2 100.21 3.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.22 -1.165 . . . . 1.22 110.497 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -147.83 131.86 17.24 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.504 -1.295 . . . . 2.5 107.504 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -123.17 127.02 48.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.511 -0.743 . . . . 0.89 110.109 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -124.92 132.4 53.3 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.434 -0.791 . . . . 2.82 108.884 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 7.8 mp -89.51 90.4 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.124 -0.985 . . . . 1.9 109.427 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -71.22 -48.47 51.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 1.97 109.67 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 43' ' ' PHE . 20.7 p-10 -148.53 79.98 8.55 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.212 -0.93 . . . . 2.54 111.185 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -76.8 50.48 3.06 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 120.92 1.08 . . . . 1.09 109.828 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 40.5 p-10 -68.46 -42.94 78.06 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.405 -1.434 . . . . 2.89 110.58 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 10.2 tp10 -80.5 -40.54 25.9 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.624 -1.297 . . . . 3.15 109.658 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.57 -44.43 93.84 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.438 -0.789 . . . . 1.35 110.148 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.7 54.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.041 -1.037 . . . . 1.4 109.659 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.74 -42.23 95.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.144 -0.972 . . . . 4.21 109.262 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 64' ' ' ARG . 24.9 ttt-85 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 4.01 109.093 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -52.09 -36.31 50.5 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.235 -0.916 . . . . 1.23 108.975 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -86.68 -22.41 46.77 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.156 -1.021 . . . . 1.11 110.988 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -63.39 -35.63 81.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.563 -1.551 . . . . 3.18 110.247 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -55.15 -40.09 70.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.885 -1.134 . . . . 4.48 108.551 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -103.05 20.81 16.88 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.73 -0.841 . . . . 3.03 108.73 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.12 57.51 4.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.503 -0.748 . . . . 3.8 110.367 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 66' ' ' GLY . 41.5 mmtm -137.06 68.49 56.68 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 121.008 -1.058 . . . . 2.86 109.75 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -67.72 -5.2 13.74 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.182 1.254 . . . . 3.55 109.531 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -93.66 -0.93 55.86 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.15 -0.969 . . . . 5.62 110.385 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.7 mmt -85.68 106.77 17.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.868 -1.145 . . . . 2.66 110.335 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -71.49 -178.4 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.133 0.968 . . . . 1.68 110.904 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.477 ' OH ' ' OH ' ' A' ' 102' ' ' TYR . 82.5 t80 -58.15 -29.04 65.26 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.794 -0.639 . . . . 1.51 109.483 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' OE1' ' N4 ' ' B' ' 7' ' ' ' DC' . 30.4 mm-40 -59.15 -30.09 67.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.094 -1.004 . . . . 2.53 109.033 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' HZ1' ' C7 ' ' C' ' 25' ' ' ' DT' . 42.8 tptt -55.2 -40.4 70.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.688 -1.227 . . . . 4.61 107.688 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.09 -40.81 82.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.465 -0.772 . . . . 1.76 109.52 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -62.25 -49.54 75.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.71 -1.244 . . . . 1.86 109.606 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.603 ' CG ' HH11 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.68 -42.14 82.57 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.196 -1.001 . . . . 5.47 108.829 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.03 -52.44 23.62 Favored Glycine 0 N--CA 1.496 2.669 0 C-N-CA 120.162 -1.018 . . . . 0.85 110.887 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.5 tp -67.77 -33.63 75.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.924 -1.339 . . . . 2.17 110.468 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.543 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.2 tmt_? -58.27 -50.89 72.0 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.165 -0.96 . . . . 2.92 110.138 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -71.54 -16.69 62.33 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.006 -1.059 . . . . 1.64 109.095 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 26.7 t80 -73.29 7.1 2.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.635 -0.665 . . . . 1.27 112.454 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.543 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 37.9 m-85 -78.93 20.75 0.45 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.042 -1.661 . . . . 2.28 108.574 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 86' ' ' TYR . 84.4 m-20 -72.19 -34.06 68.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.355 -0.84 . . . . 2.74 109.229 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.455 ' NZ ' ' OP2' ' C' ' 23' ' ' ' DC' . 11.9 mptt -103.76 140.68 37.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.926 -1.139 . . . . 3.0 107.926 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.409 ' ND2' ' NE2' ' A' ' 93' ' ' HIS . 1.1 t-20 -76.27 92.54 3.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.866 -1.146 . . . . 3.23 108.084 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.638 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -142.19 -87.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.827 -0.624 . . . . 1.93 109.586 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.638 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 19.9 tt -94.93 127.9 46.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.966 -1.084 . . . . 1.67 110.343 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.409 ' NE2' ' ND2' ' A' ' 90' ' ' ASN . 55.9 m-70 -128.37 138.23 52.26 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.317 -0.994 . . . . 2.31 108.317 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -72.22 156.11 39.5 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.815 -1.178 . . . . 3.29 109.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 97' ' ' GLY . 89.3 m -89.82 137.47 32.31 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.205 -0.934 . . . . 1.62 108.673 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.44 10.53 0.46 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 2.87 110.757 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -79.83 -89.08 0.5 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.377 -1.489 . . . . 2.32 109.377 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -107.94 178.4 4.53 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.329 -1.101 . . . . 3.99 108.354 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -89.34 -9.41 50.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.662 -1.274 . . . . 6.26 109.582 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.508 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 80.7 m-85 -99.95 2.58 43.72 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.128 -0.982 . . . . 1.66 110.411 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 m -94.21 125.58 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.711 -1.243 . . . . 1.63 110.273 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.477 ' OH ' ' OH ' ' A' ' 76' ' ' TYR . 7.9 m-85 -112.35 150.08 31.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.63 -0.878 . . . . 1.6 108.63 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.9 ttt-85 -149.02 158.19 43.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.068 -1.02 . . . . 3.34 109.979 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -128.03 159.56 34.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.526 -0.733 . . . . 1.21 109.558 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 118.049 -0.977 . . . . 2.56 109.367 179.721 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.424 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.485 3.357 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.424 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.622 4.778 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.828 3.785 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 1 O4'-C1'-N19 111.162 4.203 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.459 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.124 1 O4'-C1'-N19 111.472 4.591 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.539 H2'' " O4'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 C3'-C2'-C1' 106.804 2.931 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.539 " O4'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.552 5.12 1 O4'-C1'-N19 112.32 5.65 . . . . 1.39 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.763 0 O4'-C1'-N19 110.878 3.848 . . . . 1.16 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.294 4.368 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.423 H2'' " O5'" ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.064 4.08 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.469 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.62 4.775 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.469 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.965 1 O4'-C1'-N19 111.296 4.37 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.575 1 O4'-C1'-N19 111.55 4.688 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.957 1 O4'-C1'-N19 111.299 4.373 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.53 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.657 3.571 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.53 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.16 4.201 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.495 1 O4'-C1'-N19 111.509 4.636 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.866 3.832 . . . . 2.56 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 C3'-C2'-C1' 106.798 2.927 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 1 O4'-C1'-N19 111.186 4.233 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.437 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.326 1 O4'-C1'-N19 111.967 5.209 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.437 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.352 0 O4'-C1'-N19 110.854 3.817 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.467 ' OP1' ' CE2' ' A' ' 86' ' ' TYR . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 111.673 4.842 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.522 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.486 0 O4'-C1'-N19 110.494 3.368 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.522 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.551 4.688 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.594 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.357 4.446 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.594 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.936 3.921 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.517 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.961 3.952 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 1 O4'-C1'-N19 111.495 4.619 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.458 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.999 1 O4'-C1'-N19 111.455 4.568 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.458 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.975 0 O4'-C1'-N19 110.889 3.861 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.973 0 O4'-C1'-N19 110.386 3.233 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.448 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.36 0 O4'-C1'-N19 110.731 3.664 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.448 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.559 0 O4'-C1'-N19 110.053 2.816 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.278 0.561 . . . . 3.84 109.778 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.652 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 10.0 tp -141.44 36.87 0.25 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.179 -0.951 . . . . 3.94 110.609 178.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 4.1 Cg_exo -55.72 -11.68 5.44 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 N-CA-C 108.944 -1.214 . . . . 3.96 108.944 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -67.63 -47.49 69.47 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.315 -0.865 . . . . 3.43 109.776 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.82 71.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.286 -0.884 . . . . 3.6 110.184 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.93 -30.71 21.14 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.169 -0.957 . . . . 3.28 109.814 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.1 mt -88.7 1.45 55.1 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.078 -1.013 . . . . 3.69 108.568 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLY . . . -81.71 -81.32 0.14 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.233 -1.025 . . . . 3.32 108.233 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . 44.74 33.52 3.45 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.811 -1.716 . . . . 3.7 108.811 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -68.44 80.04 0.26 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.509 -0.995 . . . . 4.08 110.066 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 t -98.54 1.05 46.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.979 -1.075 . . . . 5.16 109.09 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.13 -43.93 96.48 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.093 -1.203 . . . . 5.28 110.093 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.1 t -131.5 39.69 3.48 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.492 -1.005 . . . . 4.97 110.085 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.31 -107.87 0.12 Allowed Glycine 0 N--CA 1.496 2.669 0 N-CA-C 110.026 -1.23 . . . . 4.02 110.026 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -53.73 134.04 56.83 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 CA-C-N 118.922 1.361 . . . . 3.58 110.415 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 pt -83.88 164.27 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.477 -0.764 . . . . 3.17 110.386 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.57 ' NE2' ' OH ' ' A' ' 86' ' ' TYR . 1.8 tm0? -90.63 145.44 24.84 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.495 -1.298 . . . . 1.99 107.495 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.474 ' N ' ' CD ' ' A' ' 26' ' ' GLN . 1.2 tm? -56.33 -59.49 4.88 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.743 -1.223 . . . . 2.17 111.501 -177.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.555 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.0 p-90 -72.3 -36.91 69.04 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.741 -1.224 . . . . 1.28 113.054 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -58.71 -38.21 77.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 117.677 -1.609 . . . . 2.89 108.181 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.95 -45.96 66.31 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.376 -0.827 . . . . 0.95 110.515 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 tp -67.47 -43.7 80.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.897 -1.127 . . . . 2.08 110.218 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.37 -46.71 88.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 2.46 109.163 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.09 -40.08 94.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.702 -1.249 . . . . 2.46 108.529 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.55 -28.44 69.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 2.1 109.802 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 4.8 mp -60.04 -41.37 92.13 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.527 -1.358 . . . . 1.97 108.397 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.1 p -109.42 61.16 0.6 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.272 -0.893 . . . . 2.13 110.676 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 -104.31 0.21 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.01 -1.056 . . . . 3.08 109.933 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 174.38 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.444 -0.785 . . . . 3.68 110.32 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -74.48 114.95 13.46 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.661 0.743 . . . . 2.78 109.05 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.1 m -80.63 6.67 12.02 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 122.003 0.906 . . . . 2.54 109.157 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -98.28 61.61 1.45 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.3 -0.875 . . . . 3.73 110.447 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 78.7 p -159.86 -55.9 0.06 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.975 -1.078 . . . . 2.79 109.264 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 1.1 m-85 -124.07 19.24 9.18 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.786 -0.82 . . . . 1.84 108.786 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.534 ' CG1' ' H ' ' A' ' 45' ' ' SER . 8.0 tt -163.86 179.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.217 -0.993 . . . . 1.68 110.428 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.534 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 23.2 t -138.16 129.97 28.26 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.073 -1.017 . . . . 2.19 111.349 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.4 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.49 105.86 12.95 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 106.66 -1.607 . . . . 1.46 106.66 178.775 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 52' ' ' GLU . 10.7 t -63.3 141.98 58.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.494 -1.379 . . . . 2.47 109.526 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.29 30.92 9.17 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.037 -1.225 . . . . 2.13 110.037 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -120.87 -94.36 0.5 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.37 -1.076 . . . . 3.56 110.423 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.4 -108.84 0.52 Allowed Glycine 0 N--CA 1.484 1.868 0 N-CA-C 109.594 -1.402 . . . . 1.46 109.594 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.456 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 56.3 t-105 -151.09 49.37 0.84 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 1.22 109.64 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' H ' HG23 ' A' ' 47' ' ' THR . 94.5 mt-10 -99.16 108.24 20.79 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.948 -1.095 . . . . 2.5 108.45 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -107.94 130.38 55.04 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.543 -0.91 . . . . 0.89 108.543 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -138.71 138.18 37.48 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.03 -1.044 . . . . 2.82 110.739 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.24 94.96 9.81 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.833 -0.803 . . . . 1.9 108.833 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -72.56 -43.0 64.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.973 -1.079 . . . . 1.97 110.097 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -132.11 71.32 80.01 Favored Pre-proline 0 N--CA 1.503 2.218 0 O-C-N 121.305 -0.872 . . . . 2.54 109.346 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.38 46.24 0.35 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.343 1.362 . . . . 1.09 109.886 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.35 -43.02 74.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.635 -1.291 . . . . 2.89 108.928 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -86.47 -33.84 20.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.823 . . . . 3.15 109.792 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.66 -45.25 85.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 119.498 -0.881 . . . . 1.35 109.59 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.54 92.11 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.243 -0.911 . . . . 1.4 109.924 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -68.41 -41.99 79.63 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.613 -0.679 . . . . 4.21 109.678 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.519 HH11 ' HG2' ' A' ' 64' ' ' ARG . 12.7 ttt-85 -65.74 -39.67 91.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 4.01 109.808 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -55.24 -44.39 75.46 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.196 -0.94 . . . . 1.23 109.502 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.76 -15.86 64.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.566 -1.014 . . . . 1.11 110.566 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.28 -43.04 92.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.099 -1.236 . . . . 3.18 109.994 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.04 -18.22 65.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.772 -1.205 . . . . 4.48 109.062 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -92.93 6.21 48.61 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.19 -0.67 . . . . 3.03 109.19 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.2 m120 57.94 40.61 25.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.386 0.612 . . . . 3.8 109.898 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -111.23 149.17 40.15 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 107.773 -1.195 . . . . 2.86 107.773 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.2 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.869 0 N-CA-C 109.161 -1.13 . . . . 3.55 109.161 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -135.11 143.97 46.88 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.57 -0.9 . . . . 5.62 108.57 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.1 mtp -125.19 140.13 53.13 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.776 -0.824 . . . . 2.66 108.776 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.66 165.04 23.76 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.936 0.874 . . . . 1.68 110.866 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.32 -20.38 66.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.127 -0.694 . . . . 1.51 109.127 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.64 -36.92 77.33 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.439 -0.788 . . . . 2.53 109.908 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -54.97 -40.52 70.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.793 -1.192 . . . . 4.61 109.537 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.48 -43.34 85.69 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.229 -0.92 . . . . 1.76 109.571 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.9 m -59.16 -51.39 70.21 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.825 -1.172 . . . . 1.86 109.779 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.52 ' NH1' HH21 ' A' ' 84' ' ' ARG . 8.8 tpm_? -69.39 -41.18 76.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 5.47 109.986 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.92 23.21 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 119.594 -1.289 . . . . 0.85 110.93 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 86' ' ' TYR . 5.2 tt -67.03 -44.37 80.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.873 -1.369 . . . . 2.17 110.703 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 mtp180 -58.44 -50.56 73.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.16 -1.588 . . . . 2.92 108.863 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 40.3 t80 -53.71 -14.88 1.01 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.535 -1.353 . . . . 1.64 108.663 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.57 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.5 t80 -76.01 6.32 5.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.291 -0.881 . . . . 1.27 110.568 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 54.4 m-85 -68.89 8.4 0.53 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 2.28 109.125 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 86' ' ' TYR . 90.2 m-20 -74.33 -35.05 63.61 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.086 -1.046 . . . . 2.74 108.569 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -109.17 130.75 55.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.96 -1.126 . . . . 3.0 107.96 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -80.08 86.49 5.53 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.816 -1.177 . . . . 3.23 107.955 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.31 -42.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 108.278 -1.008 . . . . 1.93 108.278 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.439 ' CD1' ' CZ ' ' A' ' 104' ' ' PHE . 7.1 tt -137.45 127.57 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.732 -1.23 . . . . 1.67 110.442 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' A' ' 103' ' ' ARG . 14.4 m-70 -126.46 151.18 48.11 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 108.019 -1.104 . . . . 2.31 108.019 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -90.61 147.82 23.07 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.811 -1.181 . . . . 3.29 110.729 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.464 ' C ' ' H ' ' A' ' 97' ' ' GLY . 52.7 m -91.66 127.48 37.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.425 -0.797 . . . . 1.62 109.029 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.21 37.27 0.16 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.082 -1.011 . . . . 2.87 109.031 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -76.95 -78.94 0.71 Allowed Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.846 -1.302 . . . . 2.32 109.846 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -108.1 -111.77 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -1.184 . . . . 3.99 108.574 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -134.93 -30.53 1.06 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.484 -1.385 . . . . 6.26 110.156 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.409 ' OH ' " O3'" ' B' ' 5' ' ' ' DG' . 97.7 m-85 -107.27 20.71 18.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.655 -0.653 . . . . 1.66 109.863 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.8 t -87.89 131.79 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.887 -1.133 . . . . 1.63 111.103 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -122.1 155.94 34.64 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.69 -0.856 . . . . 1.6 108.69 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 93' ' ' HIS . 31.4 ttt-85 -153.06 153.09 32.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.296 -0.878 . . . . 3.34 108.976 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 21.9 m-85 -120.73 147.68 44.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.403 -0.811 . . . . 1.21 109.98 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.096 -0.954 . . . . 2.56 109.509 -179.115 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.537 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.468 1 O4'-C1'-N19 111.422 4.528 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.61 3.513 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O4'-C1'-N19 110.735 3.669 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.796 3.745 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 1 O4'-C1'-N19 111.989 5.236 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.654 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.442 3.303 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.654 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.545 4.224 1 O4'-C1'-N19 112.051 5.313 . . . . 1.39 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.606 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.39 4.487 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.606 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.684 1 O4'-C1'-N19 111.995 5.244 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.326 1 O4'-C1'-N19 111.596 4.745 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 1 O4'-C1'-N19 111.645 4.806 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.347 1 O4'-C1'-N19 111.733 4.917 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 1 O4'-C1'-N19 111.344 4.43 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 1 O4'-C1'-N19 111.687 4.859 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.456 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.437 0 C3'-C2'-C1' 106.929 3.021 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.478 H2'' " O5'" ' B' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.195 1 O4'-C1'-N19 111.259 4.324 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . 0.478 " O5'" H2'' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.3 4.375 . . . . 2.51 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.313 1 O4'-C1'-N19 111.616 4.77 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.45 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.674 0 C3'-C2'-C1' 107.078 3.127 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.224 1 O4'-C1'-N19 111.457 4.571 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.315 1 O4'-C1'-N19 111.571 4.714 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 0 O4'-C1'-N19 110.833 3.791 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.151 1 O4'-C1'-N19 111.493 4.617 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.407 0 O4'-C1'-N19 110.765 3.706 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 112.007 5.259 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.439 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.889 3.861 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.439 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.277 1 O4'-C1'-N19 111.502 4.628 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.766 4.957 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 1 O4'-C1'-N19 112.041 5.301 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.525 0 O4'-C1'-N19 110.756 3.695 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 1 O4'-C1'-N19 111.699 4.873 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.452 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.292 3.115 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.545 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.238 4.298 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.545 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.063 0 O4'-C1'-N19 110.935 3.918 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 10' ' ' VAL . 8.1 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.415 -0.587 . . . . 3.84 109.415 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -139.55 60.14 15.71 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.455 -0.778 . . . . 3.94 110.006 178.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 1.1 Cg_endo -65.64 67.66 0.37 Allowed 'Trans proline' 0 C--N 1.312 -1.365 0 N-CA-C 107.995 -1.579 . . . . 3.96 107.995 178.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 11' ' ' ILE . . . -107.95 -102.16 0.36 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.339 -0.851 . . . . 3.43 110.185 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.49 -29.85 68.14 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.425 -0.797 . . . . 3.6 110.566 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.38 -24.64 36.87 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.884 -1.135 . . . . 3.28 108.836 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 2.5 tm? -80.28 -40.34 27.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.593 0.711 . . . . 3.69 109.283 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.58 -47.61 21.94 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.467 -0.771 . . . . 3.32 110.12 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.09 34.2 11.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 108.423 -1.871 . . . . 3.7 108.423 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.46 153.94 42.78 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.741 -0.858 . . . . 4.08 109.122 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.451 ' C ' ' H ' ' A' ' 22' ' ' SER . 31.5 m -90.25 130.6 36.35 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.322 -0.992 . . . . 5.16 108.322 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.95 45.34 0.31 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 110.109 -1.196 . . . . 5.28 110.109 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 20' ' ' THR . 72.9 m -104.48 110.98 23.47 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.163 -1.198 . . . . 4.97 109.162 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.46 164.91 5.33 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 108.568 -1.813 . . . . 4.02 108.568 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -65.02 135.31 43.38 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 121.573 1.515 . . . . 3.58 109.695 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 tt -76.66 160.31 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.122 -0.986 . . . . 3.17 109.131 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.587 ' OE1' ' NE1' ' A' ' 28' ' ' TRP . 45.7 tt0 -90.23 131.51 36.01 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.011 -1.107 . . . . 1.99 108.011 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.53 -38.85 62.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.9 -1.125 . . . . 2.17 112.426 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.587 ' NE1' ' OE1' ' A' ' 26' ' ' GLN . 6.4 p-90 -69.0 -42.97 75.74 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.787 -1.821 . . . . 1.28 110.297 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 13.4 tt0 -58.7 -45.35 89.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.519 -1.363 . . . . 2.89 107.454 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -64.97 -49.84 68.71 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.385 0.612 . . . . 0.95 109.864 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.24 -44.71 78.77 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.427 -0.795 . . . . 2.08 111.154 -178.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.17 -44.22 96.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.497 -1.377 . . . . 2.46 109.649 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -59.71 -49.29 78.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 2.46 108.722 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.06 -30.55 70.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.551 -0.718 . . . . 2.1 109.141 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 8.2 tt -51.63 -40.78 60.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.136 -0.978 . . . . 1.97 109.688 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -131.35 64.45 1.58 Allowed 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.398 -0.814 . . . . 2.13 111.143 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 38' ' ' LYS . 57.3 t0 -135.46 -60.74 0.75 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.832 -1.167 . . . . 3.08 109.773 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.7 ' NZ ' ' H ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -59.94 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.3 -0.875 . . . . 3.68 109.063 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 70.9 m -69.54 -90.04 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.287 -0.883 . . . . 2.78 109.156 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER 160.52 -65.98 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.747 -0.834 . . . . 2.54 108.747 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.72 -9.72 58.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.745 -0.597 . . . . 3.73 111.079 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 t -70.77 -42.99 69.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.886 -1.134 . . . . 2.79 109.788 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.7 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 88.0 m-85 -131.38 3.88 4.29 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.234 -0.916 . . . . 1.84 111.429 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.601 ' CG1' ' H ' ' A' ' 45' ' ' SER . 4.6 tt -165.03 -168.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 119.998 -1.689 . . . . 1.68 110.736 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.601 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 52.8 m -128.8 114.08 16.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.078 -1.014 . . . . 2.19 109.499 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.42 108.29 19.57 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 107.377 -1.342 . . . . 1.46 107.377 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -56.1 146.88 21.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.177 -0.952 . . . . 2.47 109.649 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.65 48.52 0.95 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.511 -1.436 . . . . 2.13 109.511 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -126.19 -108.63 0.31 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.394 -1.062 . . . . 3.56 109.077 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.8 -103.87 0.72 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 108.857 -1.697 . . . . 1.46 108.857 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -139.08 87.97 2.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -1.053 . . . . 1.22 109.158 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -137.33 129.09 28.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.839 -1.171 . . . . 2.5 107.839 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -118.67 126.22 51.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.382 -0.824 . . . . 0.89 109.397 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -116.73 128.31 55.2 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.502 -0.749 . . . . 2.82 109.749 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.62 99.68 12.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.433 -0.792 . . . . 1.9 110.235 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.4 m -80.32 -62.38 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.658 -0.652 . . . . 1.97 110.349 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 59' ' ' ASP . 57.4 p-10 -142.83 61.29 10.62 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 120.956 -1.09 . . . . 2.54 112.61 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 57' ' ' ASP . 3.9 Cg_exo -62.6 62.23 0.14 Allowed 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 121.424 1.416 . . . . 1.09 109.589 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 57' ' ' ASP . 94.4 m-20 -71.33 -43.54 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 2.89 109.86 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -77.0 -29.37 55.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 3.15 109.485 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.3 t -66.32 -48.58 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 119.804 -0.758 . . . . 1.35 109.856 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.31 80.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.105 -0.997 . . . . 1.4 109.918 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -60.77 -44.02 97.31 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.12 -0.987 . . . . 4.21 108.99 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 64' ' ' ARG . 16.9 ttt-85 -67.76 -35.56 78.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.395 -0.816 . . . . 4.01 109.205 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -53.52 -43.04 68.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.793 -0.818 . . . . 1.23 108.793 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' ASN . . . -91.0 -17.03 53.08 Favored Glycine 0 N--CA 1.496 2.686 0 C-N-CA 120.47 -0.871 . . . . 1.11 110.926 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -60.2 -44.15 95.36 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.708 -1.466 . . . . 3.18 107.792 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' NE ' HH12 ' A' ' 64' ' ' ARG . 3.4 mtt-85 -59.92 -35.22 74.43 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.517 -0.919 . . . . 4.48 108.517 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -96.11 9.22 41.57 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 3.03 109.445 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' GLY . 97.9 m-20 57.48 49.89 12.1 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.347 0.594 . . . . 3.8 110.026 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -137.86 69.84 50.68 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.564 -0.71 . . . . 2.86 109.498 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -57.51 -10.5 6.94 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 120.945 1.097 . . . . 3.55 110.232 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -103.74 27.21 7.71 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.203 -0.936 . . . . 5.62 109.349 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.7 tpp -68.13 121.43 16.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.274 -0.891 . . . . 2.66 109.981 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 36.2 t-20 -74.56 145.37 43.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.334 -0.853 . . . . 1.68 111.585 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 64.9 t80 -68.58 -39.05 81.15 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.637 0.732 . . . . 1.51 109.228 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.54 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 9.1 pt-20 -61.46 -32.12 72.1 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.261 -1.015 . . . . 2.53 108.261 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -50.56 -38.33 44.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.115 -0.99 . . . . 4.61 108.412 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.92 -36.31 79.96 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.061 -1.088 . . . . 1.76 108.061 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -58.94 -40.74 85.54 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.945 -1.102 . . . . 1.86 108.291 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.635 HH21 ' H41' ' B' ' 7' ' ' ' DC' . 97.0 mtt180 -69.34 -35.51 75.97 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.985 -1.117 . . . . 5.47 107.985 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.17 -53.08 8.04 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.809 -1.316 . . . . 0.85 109.809 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.65 -20.59 61.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.173 -1.193 . . . . 2.17 109.408 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.44 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 16.5 ttp180 -62.25 -52.1 65.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 2.92 109.207 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -87.29 -9.71 54.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.731 -0.606 . . . . 1.64 110.343 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.531 ' C ' ' H ' ' A' ' 88' ' ' ASP . 19.2 t80 -72.67 2.23 6.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.013 -1.054 . . . . 1.27 111.291 -177.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 40.5 m-85 -78.11 20.95 0.35 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.354 -1.466 . . . . 2.28 108.002 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 86' ' ' TYR . 97.9 m-20 -68.14 -39.9 82.58 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.354 -0.98 . . . . 2.74 108.354 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -103.99 141.34 36.36 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.717 -1.586 . . . . 3.0 106.717 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -76.44 91.13 3.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.77 -1.206 . . . . 3.23 108.526 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 tp -137.42 -62.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.972 -0.455 . . . . 1.93 110.758 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.54 124.77 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.136 -0.977 . . . . 1.67 112.283 -178.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -115.77 131.57 56.9 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.852 -0.795 . . . . 2.31 108.852 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -68.71 142.67 54.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.707 -0.62 . . . . 3.29 110.284 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.449 ' C ' ' H ' ' A' ' 97' ' ' GLY . 91.2 m -91.73 135.65 33.74 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.309 -0.87 . . . . 1.62 110.374 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.52 30.55 0.29 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 2.87 108.922 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -77.8 -90.33 0.33 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.441 -1.464 . . . . 2.32 109.441 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -114.26 -123.62 0.29 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.313 -1.11 . . . . 3.99 109.727 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -116.17 -29.51 6.25 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.088 -1.007 . . . . 6.26 111.529 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -106.97 17.54 22.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.997 -1.065 . . . . 1.66 112.239 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.62 128.91 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 120.529 -1.357 . . . . 1.63 111.469 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -119.55 160.01 23.24 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.54 -1.281 . . . . 1.6 107.54 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -146.71 142.78 28.18 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.082 -1.011 . . . . 3.34 108.893 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.46 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 29.0 m-85 -118.0 136.27 53.63 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.685 -0.858 . . . . 1.21 108.685 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.975 -1.012 . . . . 2.56 109.95 -178.078 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.725 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.138 0 O4'-C1'-N19 110.692 3.615 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.893 1 O4'-C1'-N19 111.579 4.723 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.433 H2'' " O5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.928 3.91 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.433 " O5'" H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.111 0 O4'-C1'-N19 110.699 3.623 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.539 ' C2 ' ' N3 ' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.076 1 O4'-C1'-N19 112.137 5.421 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.539 ' N3 ' ' C2 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.546 4.407 0 C3'-C2'-C1' 106.849 2.964 . . . . 1.26 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.68 H2'' " O5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.309 1 O4'-C1'-N19 111.828 5.035 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.68 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.788 1 O4'-C1'-N19 111.708 4.885 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.851 3.813 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O4'-C1'-N19 110.961 3.951 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.415 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.991 1 O4'-C1'-N19 111.019 4.023 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.415 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.073 1 O4'-C1'-N19 112.435 5.794 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 1 O4'-C1'-N19 112.094 5.368 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.311 1 O4'-C1'-N19 111.139 4.173 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.521 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 P--O5' 1.616 2.32 0 O4'-C1'-N19 110.199 2.999 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.428 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O4'-C1'-N19 110.881 3.851 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.824 1 O4'-C1'-N19 111.425 4.532 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.643 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.207 4.258 . . . . 2.56 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.82 0 O4'-C1'-N19 110.254 3.068 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.755 3.694 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 112.005 5.257 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.827 3.784 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.673 4.842 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.444 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.163 0 C3'-C2'-C1' 106.959 3.042 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.444 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.526 4.658 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.443 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.236 4.295 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.519 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.438 0 O4'-C1'-N19 110.774 3.718 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.519 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 111.313 4.392 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 112.253 5.567 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.539 0 O4'-C1'-N19 110.854 3.818 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.106 1 O4'-C1'-N19 111.687 4.858 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.462 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.043 0 O4'-C1'-N19 110.22 3.025 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.579 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.015 4.019 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.579 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 111.03 4.038 . . . . 2.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.482 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 90.3 t . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.424 -0.584 . . . . 3.84 109.424 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.677 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 6.5 mm -114.22 -26.09 0.11 Allowed Pre-proline 0 N--CA 1.495 1.789 0 CA-C-O 117.842 -1.075 . . . . 3.94 112.364 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 10.7 Cg_exo -58.35 62.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.818 0 CA-C-N 119.922 1.008 . . . . 3.96 110.851 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 11' ' ' ILE . . . -100.91 161.76 13.37 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.889 -1.132 . . . . 3.43 110.48 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -18.06 29.76 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.706 -1.22 . . . . 3.6 107.706 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' CB ' ' OD2' ' A' ' 37' ' ' ASP . . . -84.58 -4.7 59.12 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.99 -0.744 . . . . 3.28 108.99 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 tp -74.86 -73.75 0.23 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.225 -1.398 . . . . 3.69 107.225 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' A' ' 19' ' ' TYR . . . -95.45 -126.64 0.13 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.927 -1.509 . . . . 3.32 106.927 177.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.55 -65.97 0.01 OUTLIER Glycine 0 N--CA 1.499 2.892 0 N-CA-C 110.545 -1.022 . . . . 3.7 110.545 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.583 ' N ' ' O ' ' A' ' 17' ' ' ALA . 65.7 t80 -70.14 54.36 0.14 Allowed 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.258 -1.143 . . . . 4.08 109.904 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 m -110.07 -15.48 14.02 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.778 0.799 . . . . 5.16 108.845 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.99 0.3 23.16 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 111.24 -0.744 . . . . 5.28 111.24 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.9 m -110.87 19.63 18.36 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.387 -1.066 . . . . 4.97 109.38 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.86 -177.4 43.25 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.125 -1.59 . . . . 4.02 109.125 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -52.05 137.64 53.47 Favored 'Trans proline' 0 C--N 1.316 -1.182 0 N-CA-C 108.028 -1.566 . . . . 3.58 108.028 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 pt -74.46 155.99 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 120.939 -1.1 . . . . 3.17 110.311 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.555 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 9.2 tm0? -85.31 156.56 20.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.76 . . . . 1.99 109.639 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 1.8 tm? -61.38 -54.32 45.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.391 -0.818 . . . . 2.17 111.765 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.555 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.9 p-90 -78.88 -37.9 38.98 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.526 -1.359 . . . . 1.28 112.357 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -55.78 -37.73 68.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.526 -1.657 . . . . 2.89 106.526 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -67.26 -55.62 13.23 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.605 0.717 . . . . 0.95 109.153 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.62 -44.57 90.11 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.505 -0.747 . . . . 2.08 110.233 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.12 -48.91 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.823 -1.173 . . . . 2.46 110.24 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 87.4 tt0 -61.44 -43.77 98.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.854 -1.153 . . . . 2.46 108.553 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.27 -30.06 70.89 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.666 0.746 . . . . 2.1 109.053 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.534 ' CD2' ' HE1' ' A' ' 51' ' ' TRP . 9.4 tp -54.53 -46.81 73.64 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.529 -0.732 . . . . 1.97 109.59 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 p -99.93 48.68 0.93 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.193 -0.942 . . . . 2.13 110.295 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 33' ' ' GLU . 77.5 m-20 -132.21 -114.69 0.23 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.399 -0.813 . . . . 3.08 110.161 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.491 ' CE ' ' H ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -57.8 143.89 40.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.78 -1.193 . . . . 3.68 107.78 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.491 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 66.2 m -67.63 -43.48 80.24 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.389 -1.444 . . . . 2.78 111.318 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 10' ' ' VAL . 84.7 m 51.49 16.21 0.41 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.177 -0.952 . . . . 2.54 109.164 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 44' ' ' ILE . 39.0 tt0 -59.93 -37.03 78.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.581 -0.699 . . . . 3.73 111.91 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -73.97 -10.49 59.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.329 -1.482 . . . . 2.79 110.074 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -122.87 7.7 9.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.993 -1.114 . . . . 1.84 107.993 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 41' ' ' GLN . 1.6 tt -165.93 176.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.384 -0.969 . . . . 1.68 108.384 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t -115.04 116.29 28.21 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.921 -1.112 . . . . 2.19 110.49 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.51 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.37 101.53 9.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.137 -1.431 . . . . 1.46 107.137 179.007 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 p -67.69 152.26 45.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.637 -1.289 . . . . 2.47 108.802 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 37.8 3.61 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.035 -1.626 . . . . 2.13 109.035 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -116.39 -105.46 0.4 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.537 -0.978 . . . . 3.56 109.482 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.56 -106.24 0.61 Allowed Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.261 -1.535 . . . . 1.46 109.261 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.534 ' HE1' ' CD2' ' A' ' 35' ' ' LEU . 4.2 t-105 -140.11 69.48 1.36 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.255 -1.144 . . . . 1.22 109.148 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -113.09 121.96 46.12 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.32 -0.863 . . . . 2.5 109.039 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -130.6 135.07 47.52 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.333 -0.854 . . . . 0.89 109.312 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -129.59 130.41 45.64 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.2 -0.937 . . . . 2.82 110.378 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.56 73.39 9.46 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.145 -1.057 . . . . 1.9 108.145 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.556 ' HG ' ' N ' ' A' ' 57' ' ' ASP . 96.6 p -76.37 -46.45 27.35 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.528 -0.733 . . . . 1.97 112.269 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.556 ' N ' ' HG ' ' A' ' 56' ' ' SER . 97.8 m-20 -135.27 68.77 68.98 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.805 -1.185 . . . . 2.54 111.684 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -75.11 67.42 6.02 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 121.694 1.596 . . . . 1.09 109.279 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.05 -49.8 47.57 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.598 -1.314 . . . . 2.89 109.463 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -85.57 -33.95 21.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 3.15 109.288 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.15 -48.35 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.221 -0.925 . . . . 1.35 110.241 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.25 91.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 1.4 109.88 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -62.0 -42.52 99.24 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.788 -1.195 . . . . 4.21 109.678 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -69.78 -40.03 76.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.917 -1.115 . . . . 4.01 110.12 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.459 ' CD1' ' NZ ' ' A' ' 78' ' ' LYS . 11.9 t-105 -53.84 -39.35 65.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.287 -0.883 . . . . 1.23 109.35 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.36 -29.47 30.3 Favored Glycine 0 N--CA 1.488 2.122 0 O-C-N 120.919 -1.113 . . . . 1.11 110.69 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -66.77 -34.27 77.45 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.025 -1.28 . . . . 3.18 111.169 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -61.26 -20.61 63.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.431 -1.418 . . . . 4.48 110.142 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.85 8.11 40.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.96 -1.088 . . . . 3.03 108.368 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 60.73 23.51 13.4 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-O 121.152 0.501 . . . . 3.8 110.529 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.9 mptp? -98.16 160.5 28.14 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.092 -1.077 . . . . 2.86 108.092 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -59.17 -148.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.13 1.22 . . . . 3.55 109.674 178.8 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -92.0 131.97 36.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.596 -1.315 . . . . 5.62 108.554 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.0 mmt -125.33 144.29 50.56 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.624 0.726 . . . . 2.66 110.276 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -66.92 171.35 5.49 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.415 1.103 . . . . 1.68 111.669 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.639 ' HH ' ' HH ' ' A' ' 102' ' ' TYR . 52.1 t80 -70.03 -12.38 61.57 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.619 -0.882 . . . . 1.51 108.619 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -60.05 -32.24 70.73 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.347 -0.846 . . . . 2.53 110.783 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.459 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 21.8 pttp -59.38 -33.35 71.09 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.015 -1.053 . . . . 4.61 108.871 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 83' ' ' LEU . 17.5 mt -67.58 -40.7 84.85 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.53 -0.915 . . . . 1.76 108.53 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -65.5 -41.16 93.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.088 -1.008 . . . . 1.86 109.059 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.503 HH11 ' H42' ' C' ' 27' ' ' ' DC' . 86.9 mtm180 -72.27 -36.06 68.92 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.183 -0.948 . . . . 5.47 110.68 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.14 -46.86 2.74 Favored Glycine 0 N--CA 1.503 3.105 0 C-N-CA 120.015 -1.088 . . . . 0.85 111.771 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -60.61 -43.11 97.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.709 -1.466 . . . . 2.17 108.331 -179.422 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HB2' ' HZ2' ' A' ' 94' ' ' LYS . 9.3 tmm_? -55.14 -47.29 75.27 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.652 -1.28 . . . . 2.92 110.1 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 89.8 t80 -64.36 -8.91 14.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.969 -1.082 . . . . 1.64 109.41 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.537 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.5 t80 -76.99 10.52 2.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 1.27 110.72 -177.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -76.25 13.38 0.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.704 -1.247 . . . . 2.28 109.237 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 86' ' ' TYR . 38.1 t70 -70.92 -37.55 72.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 2.74 108.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -111.86 140.14 46.76 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.718 -1.215 . . . . 3.0 107.718 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 7.8 p30 -76.76 96.16 4.18 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.243 -1.383 . . . . 3.23 108.288 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.603 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.0 OUTLIER -137.89 -87.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.856 -0.527 . . . . 1.93 109.649 -178.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.603 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -96.12 142.9 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.631 -1.293 . . . . 1.67 109.441 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -131.65 150.17 52.24 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.294 -0.879 . . . . 2.31 109.266 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.506 ' NZ ' ' OP2' ' B' ' 7' ' ' ' DC' . 54.4 mtmt -102.12 133.45 46.94 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.789 0.804 . . . . 3.29 108.92 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.528 ' OG1' ' NE ' ' A' ' 103' ' ' ARG . 99.8 m -89.13 141.22 28.69 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 121.336 -0.852 . . . . 1.62 110.09 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.07 56.71 3.84 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.395 -1.441 . . . . 2.87 107.787 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.61 -100.9 0.39 Allowed Glycine 0 N--CA 1.492 2.42 0 C-N-CA 120.165 -1.017 . . . . 2.32 111.031 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -106.96 -43.62 4.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.518 -0.989 . . . . 3.99 110.211 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -171.79 -64.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.09 -1.044 . . . . 6.26 111.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.415 ' CE1' ' OP1' ' B' ' 6' ' ' ' DC' . 98.1 m-85 -104.38 40.16 1.53 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.635 -0.666 . . . . 1.66 111.03 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.5 m -88.06 125.02 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.561 -1.337 . . . . 1.63 109.434 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.639 ' HH ' ' HH ' ' A' ' 76' ' ' TYR . 48.6 m-85 -118.75 150.03 40.48 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.145 -0.972 . . . . 1.6 109.225 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.528 ' NE ' ' OG1' ' A' ' 95' ' ' THR . 38.6 mtm180 -149.42 153.66 37.68 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.1 -0.704 . . . . 3.34 109.1 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 104' ' ' PHE . 23.5 m-85 -126.08 163.38 23.21 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.168 -0.679 . . . . 1.21 109.168 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.313 -0.851 . . . . 2.56 109.588 -179.816 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.588 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.843 0 O4'-C1'-N19 110.846 3.808 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.449 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.084 1 O4'-C1'-N19 111.399 4.498 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.448 0 O4'-C1'-N19 110.951 3.939 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.428 1 O4'-C1'-N19 111.499 4.624 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.594 3.492 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.551 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.986 3.982 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.551 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.143 1 O4'-C1'-N19 111.96 5.2 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.432 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.202 1 O4'-C1'-N19 111.651 4.814 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.526 H2'' " O5'" ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.419 1 O4'-C1'-N19 112.401 5.751 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.526 " O5'" H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.082 1 O4'-C1'-N19 111.729 4.911 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 1 O4'-C1'-N19 111.347 4.434 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.635 1 O4'-C1'-N19 112.171 5.464 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.407 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.544 1 O4'-C1'-N19 111.207 4.259 . . . . 1.29 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.407 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 111.197 4.246 . . . . 1.35 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.437 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.117 4.146 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.4 H2'' " O5'" ' B' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.841 3.801 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . 0.4 " O5'" H2'' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.941 3.926 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.999 3.999 . . . . 2.56 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.438 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.403 0 O4'-C1'-N19 110.232 3.039 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.53 3.412 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 112.325 5.656 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.238 4.298 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.857 5.071 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C1'-N19 110.92 3.9 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 112.196 5.495 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.513 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.044 4.054 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.513 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.729 3.662 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.416 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.251 4.314 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.577 1 O4'-C1'-N19 111.43 4.537 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.434 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.34 0 O4'-C1'-N19 110.741 3.676 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.434 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.147 1 O4'-C1'-N19 111.285 4.356 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.4 H2'' " O5'" ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.428 0 O4'-C1'-N19 110.439 3.299 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.539 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.093 1 O4'-C1'-N19 111.223 4.279 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.539 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.088 4.11 . . . . 2.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.907 -0.775 . . . . 3.84 108.907 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.691 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 1.6 pp -130.2 27.27 0.13 Allowed Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.322 -0.862 . . . . 3.94 111.578 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 17.9 Cg_endo -67.81 -1.8 7.47 Favored 'Trans proline' 0 C--O 1.209 -0.956 0 N-CA-C 108.881 -1.238 . . . . 3.96 108.881 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -108.02 -58.84 1.93 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.624 -0.672 . . . . 3.43 110.367 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.07 76.4 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.455 -0.778 . . . . 3.6 110.957 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.59 -25.1 31.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.134 -0.979 . . . . 3.28 111.806 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.0 mt -82.58 -11.18 58.61 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.279 -1.513 . . . . 3.69 108.202 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' TYR . . . -82.66 -141.58 0.05 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.848 -1.908 . . . . 3.32 105.848 176.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . 44.9 23.11 0.54 Allowed Glycine 0 N--CA 1.494 2.509 0 C-N-CA 119.291 -1.433 . . . . 3.7 109.605 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' ALA . 1.6 t80 -64.4 154.9 34.15 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.573 -0.957 . . . . 4.08 109.069 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 p -83.56 169.5 15.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 5.16 109.86 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.59 56.01 0.93 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.599 -1.0 . . . . 5.28 110.599 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m -105.67 22.22 15.89 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.305 -1.115 . . . . 4.97 108.456 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.57 165.45 40.95 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.382 -1.487 . . . . 4.02 109.382 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.02 148.4 39.18 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.475 1.45 . . . . 3.58 109.392 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 pt -69.51 151.42 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.841 -1.162 . . . . 3.17 109.692 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.591 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.6 tm0? -87.7 152.06 22.44 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.463 -0.773 . . . . 1.99 108.979 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.591 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.5 tt -52.17 -53.76 39.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.339 -0.851 . . . . 2.17 112.085 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.505 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 64.1 p-90 -77.15 -30.58 55.12 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.202 -1.561 . . . . 1.28 110.259 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -58.18 -43.6 87.57 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.333 -1.358 . . . . 2.89 107.333 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -68.31 -49.22 61.91 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.389 0.614 . . . . 0.95 110.082 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.94 -35.35 80.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.884 -1.135 . . . . 2.08 109.577 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.34 -48.43 70.27 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.831 -1.168 . . . . 2.46 110.563 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -66.81 -37.99 85.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 119.975 -1.703 . . . . 2.46 108.578 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 2.5 tm? -64.78 -39.35 93.45 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.82 0.819 . . . . 2.1 108.968 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -48.58 -43.39 35.8 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.734 -0.604 . . . . 1.97 109.491 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -123.02 69.77 1.0 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.595 -0.691 . . . . 2.13 110.07 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -126.34 -80.61 0.61 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.349 -0.845 . . . . 3.08 110.342 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -73.96 -167.31 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.244 -0.91 . . . . 3.68 110.23 -178.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 47.2 t -61.24 -37.32 82.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.914 -1.117 . . . . 2.78 110.665 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 79.99 -50.48 0.37 Allowed 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.701 0.762 . . . . 2.54 109.398 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.84 -32.58 60.7 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.412 -0.805 . . . . 3.73 111.066 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -27.08 60.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.754 -1.217 . . . . 2.79 111.477 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.06 -7.21 7.75 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 121.131 -0.981 . . . . 1.84 111.305 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt -162.78 -168.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.766 -1.209 . . . . 1.68 108.621 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -139.89 128.96 23.64 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.535 -1.353 . . . . 2.19 111.353 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -110.86 126.35 54.58 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.755 -1.202 . . . . 1.46 107.755 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 48' ' ' GLY . 2.1 t -53.53 -170.52 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.724 -1.235 . . . . 2.47 110.498 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -58.38 -120.24 0.01 OUTLIER Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.611 -0.996 . . . . 2.13 110.611 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -108.49 12.91 25.79 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.528 -0.983 . . . . 3.56 111.579 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 -115.75 0.57 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.669 -1.372 . . . . 1.46 109.669 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.466 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 50.9 t-105 -163.77 33.71 0.08 Allowed 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.187 -1.184 . . . . 1.22 109.91 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' H ' HG23 ' A' ' 47' ' ' THR . 80.3 mm-40 -100.22 131.2 46.3 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 106.311 -1.737 . . . . 2.5 106.311 177.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -120.12 137.05 54.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.487 -0.758 . . . . 0.89 111.308 -177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.67 139.89 51.28 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.551 0.691 . . . . 2.82 109.205 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 mp -91.93 100.98 13.55 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.295 -0.878 . . . . 1.9 110.379 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 58.5 m -74.7 -55.4 5.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.453 -1.404 . . . . 1.97 108.863 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 56' ' ' SER . 98.7 m-20 -138.37 81.78 24.55 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.364 -0.835 . . . . 2.54 110.453 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -74.85 28.32 0.36 Allowed 'Trans proline' 0 N--CA 1.484 0.944 0 C-N-CA 121.747 1.631 . . . . 1.09 110.836 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 57' ' ' ASP . 83.6 m-20 -70.15 -38.33 75.47 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.723 -1.235 . . . . 2.89 109.423 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -73.72 -38.91 64.66 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.439 -0.788 . . . . 3.15 108.947 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.471 ' CG2' HH21 ' A' ' 64' ' ' ARG . 60.3 t -65.24 -48.16 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.267 -0.896 . . . . 1.35 109.4 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.42 86.64 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.134 -1.061 . . . . 1.4 108.134 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -62.76 -44.67 95.58 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.596 0.713 . . . . 4.21 109.226 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.471 HH21 ' CG2' ' A' ' 61' ' ' VAL . 88.5 mtm180 -74.06 -34.78 64.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 4.01 109.749 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.87 -42.55 80.0 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.839 -0.801 . . . . 1.23 108.839 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.05 -16.26 67.8 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.412 -1.075 . . . . 1.11 110.412 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -61.94 -41.14 97.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.774 -1.427 . . . . 3.18 109.669 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -60.48 -36.26 77.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.162 -0.961 . . . . 4.48 109.404 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -91.9 14.09 16.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.42 -0.8 . . . . 3.03 110.421 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 m120 57.24 46.42 18.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.216 -0.927 . . . . 3.8 109.778 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.24 70.75 11.93 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 2.86 109.338 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -58.16 -8.97 5.55 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 121.407 1.405 . . . . 3.55 110.122 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -99.5 29.12 4.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.395 -0.816 . . . . 5.62 109.02 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.9 tpp -68.93 113.52 6.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.061 -1.025 . . . . 2.66 109.03 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.655 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 10.6 t-20 -69.2 151.32 46.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.366 -0.834 . . . . 1.68 110.021 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.471 ' CE1' ' OP1' ' B' ' 6' ' ' ' DC' . 25.9 t80 -67.23 -25.93 66.34 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.366 -0.834 . . . . 1.51 110.503 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.655 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 34.3 tt0 -58.72 -37.6 76.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.501 -1.375 . . . . 2.53 108.939 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.477 ' N ' ' CD ' ' A' ' 78' ' ' LYS . 11.2 mptt -54.76 -35.67 64.02 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.812 -1.155 . . . . 4.61 107.889 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.26 -31.85 68.0 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.577 -0.898 . . . . 1.76 108.577 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.6 m -57.25 -46.16 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.956 -1.09 . . . . 1.86 108.912 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.51 ' NE ' ' O6 ' ' B' ' 9' ' ' ' DG' . 16.5 ttt-85 -85.96 -37.83 18.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.276 -0.89 . . . . 5.47 109.706 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.55 -46.6 94.08 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.58 -1.408 . . . . 0.85 109.58 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -39.28 69.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -1.115 . . . . 2.17 108.688 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.447 HH11 ' HB3' ' A' ' 84' ' ' ARG . 1.3 ttt-85 -59.59 -43.51 93.65 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.77 -1.206 . . . . 2.92 110.154 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -72.98 -17.14 61.49 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.137 -0.977 . . . . 1.64 109.236 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.499 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 9.3 t80 -75.07 9.86 1.77 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.524 -0.735 . . . . 1.27 111.817 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.4 m-85 -85.31 23.4 1.31 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.774 -1.204 . . . . 2.28 109.316 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.08 -35.75 66.69 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.74 108.091 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -110.3 145.43 37.45 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.734 -1.58 . . . . 3.0 106.734 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -77.82 96.6 4.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.918 -1.114 . . . . 3.23 108.086 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.562 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -138.69 -89.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 108.638 -0.875 . . . . 1.93 108.638 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.562 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 5.9 tt -93.83 129.66 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 120.589 -1.319 . . . . 1.67 110.962 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -121.39 137.7 54.59 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.187 -0.672 . . . . 2.31 109.187 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.582 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 23.7 pttm -69.69 139.85 53.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.785 -1.197 . . . . 3.29 109.753 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.5 m -92.64 137.55 32.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.399 -0.813 . . . . 1.62 110.271 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.16 31.53 0.5 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 2.87 109.561 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.82 -79.13 0.75 Allowed Glycine 0 N--CA 1.49 2.258 0 C-N-CA 119.713 -1.232 . . . . 2.32 110.049 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -108.11 -81.7 0.56 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.333 -1.098 . . . . 3.99 109.263 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -170.51 -40.1 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.781 -1.199 . . . . 6.26 109.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -99.88 21.26 12.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.318 -0.864 . . . . 1.66 108.702 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.9 m -92.98 133.98 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.124 -0.985 . . . . 1.63 111.399 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -121.89 158.04 29.86 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.035 -1.098 . . . . 1.6 108.035 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -147.69 158.5 44.04 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.912 -1.144 . . . . 3.34 107.912 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -128.66 158.5 38.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.251 -0.905 . . . . 1.21 109.554 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 118.192 -0.908 . . . . 2.56 108.722 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.562 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.139 4.174 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.463 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.993 3.992 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-N19 111.36 4.451 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.745 1 O4'-C1'-N19 111.204 4.255 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 111.778 4.972 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.58 ' C2 ' ' C2 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.745 3.681 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.58 ' C2 ' ' C2 ' ' B' ' 6' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.547 4.475 1 O4'-C1'-N19 111.82 5.025 . . . . 1.39 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.631 3.538 . . . . 1.16 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.584 4.73 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 1 O4'-C1'-N19 111.418 4.523 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.45 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.71 4.887 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.45 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.382 4.478 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 111.184 4.23 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.415 4.519 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.407 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.98 0 O4'-C1'-N19 110.488 3.36 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.407 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 111.046 4.057 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 111.565 4.707 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.214 4.268 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.482 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.542 0 C3'-C2'-C1' 107.058 3.113 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 0 O4'-C1'-N19 110.998 3.998 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.51 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.524 1 O4'-C1'-N19 111.628 4.785 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.51 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.03 0 O4'-C1'-N19 110.832 3.791 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.964 5.205 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.604 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.737 0 C3'-C2'-C1' 107.106 3.147 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.604 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 111.47 4.588 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.415 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.413 1 O4'-C1'-N19 111.043 4.054 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.415 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.161 0 O4'-C1'-N19 110.554 3.442 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.022 1 O4'-C1'-N19 111.146 4.183 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.243 4.304 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.556 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.031 1 O4'-C1'-N19 111.425 4.532 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.556 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.451 1 O4'-C1'-N19 111.464 4.58 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.337 3.172 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.47 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.019 1 O4'-C1'-N19 111.271 4.338 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.47 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.375 0 O4'-C1'-N19 110.605 3.506 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.414 0.626 . . . . 3.84 109.453 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.404 ' C ' ' H ' ' A' ' 13' ' ' ALA . 10.6 tp -136.06 63.43 50.63 Favored Pre-proline 0 N--CA 1.495 1.816 0 O-C-N 120.976 -1.078 . . . . 3.94 109.605 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 12.3 Cg_endo -71.44 -0.83 8.77 Favored 'Trans proline' 0 C--O 1.208 -1.013 0 N-CA-C 108.295 -1.463 . . . . 3.96 108.295 178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -49.49 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.326 0.584 . . . . 3.43 111.308 -178.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.67 -25.27 68.13 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 3.6 110.777 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.91 -33.25 30.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.876 -1.14 . . . . 3.28 109.893 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' PRO . 55.8 tp -78.18 -39.86 39.47 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.176 -0.952 . . . . 3.69 108.438 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.4 -149.52 0.19 Allowed 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.056 -0.72 . . . . 3.32 109.056 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.52 8.67 76.66 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.631 -1.788 . . . . 3.7 108.631 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 27.8 p90 -71.48 133.04 45.57 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.641 -0.917 . . . . 4.08 109.454 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -125.88 -6.02 6.8 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.571 -0.705 . . . . 5.16 110.344 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.4 -7.82 87.77 Favored Glycine 0 N--CA 1.499 2.858 0 C-N-CA 119.704 -1.236 . . . . 5.28 110.776 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.3 m -103.87 18.34 22.18 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.364 -1.08 . . . . 4.97 109.626 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 -173.09 38.95 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 110.085 -1.206 . . . . 4.02 110.085 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -54.36 142.15 69.95 Favored 'Trans proline' 0 C--N 1.322 -0.837 0 C-N-CA 121.681 1.587 . . . . 3.58 109.881 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 tt -75.93 141.29 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.18 -0.95 . . . . 3.17 110.421 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.64 127.75 36.39 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.203 -0.936 . . . . 1.99 109.026 179.137 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.557 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 1.4 tm? -53.75 -59.28 4.82 Favored 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 113.01 0.744 . . . . 2.17 113.01 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 51.7 p-90 -68.23 -34.27 75.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.546 -1.347 . . . . 1.28 110.903 -178.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 18.8 tt0 -59.97 -43.81 94.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.613 -1.304 . . . . 2.89 107.906 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -67.0 -48.82 67.25 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.881 -0.512 . . . . 0.95 110.055 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.26 -49.23 78.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.268 -0.895 . . . . 2.08 109.393 -178.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -66.29 -32.96 74.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 2.46 109.235 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.89 -41.08 90.82 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.571 -1.27 . . . . 2.46 107.571 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.81 -36.18 78.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 2.1 109.357 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CB ' ' HE1' ' A' ' 46' ' ' TRP . 7.5 mp -65.72 -25.24 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.012 -1.055 . . . . 1.97 109.279 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.8 p -121.6 62.58 0.92 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.246 -0.909 . . . . 2.13 110.757 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -132.57 -74.34 0.5 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.275 -1.009 . . . . 3.08 108.275 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' H ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -118.0 -163.52 0.95 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.723 -0.61 . . . . 3.68 109.41 179.332 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.586 ' C ' ' H ' ' A' ' 41' ' ' GLN . 73.6 m -70.54 -47.06 62.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.053 . . . . 2.78 110.528 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' ILE . 6.8 t 57.6 0.36 0.1 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.113 -0.992 . . . . 2.54 108.786 -178.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' A' ' 39' ' ' SER . 1.5 tm0? -60.67 -39.99 90.46 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.155 -0.966 . . . . 3.73 109.839 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -77.93 -11.9 59.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.638 -0.664 . . . . 2.79 109.537 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -111.78 -12.83 13.79 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.728 -0.607 . . . . 1.84 110.068 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 40' ' ' CYS . 9.3 tt -165.65 -176.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.863 -1.148 . . . . 1.68 108.227 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -114.24 107.76 16.03 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.017 -1.052 . . . . 2.19 110.682 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.451 ' HE1' ' CB ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.58 112.72 25.83 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 106.967 -1.494 . . . . 1.46 106.967 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.719 ' HG1' ' H ' ' A' ' 48' ' ' GLY . 11.2 t -49.53 -173.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.814 0.816 . . . . 2.47 111.413 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.719 ' H ' ' HG1' ' A' ' 47' ' ' THR . . . -72.3 -108.29 0.06 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.57 -1.012 . . . . 2.13 110.57 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.19 12.38 24.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.404 -1.056 . . . . 3.56 111.036 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.75 -116.93 0.9 Allowed Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.861 -2.096 . . . . 1.46 107.861 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.429 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 27.7 t-105 -170.31 37.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -1.104 . . . . 1.22 109.686 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -96.42 104.68 16.67 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.923 -1.51 . . . . 2.5 106.923 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -98.98 119.18 37.33 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.599 -0.688 . . . . 0.89 109.71 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -116.61 134.99 54.18 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.558 0.694 . . . . 2.82 109.575 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.548 ' CD2' ' HH ' ' A' ' 76' ' ' TYR . 10.5 mp -90.4 104.49 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.415 -0.803 . . . . 1.9 110.42 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.3 m -76.47 -68.32 0.6 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.265 -0.897 . . . . 1.97 108.871 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ASP . 65.2 t0 -146.58 75.31 12.3 Favored Pre-proline 0 N--CA 1.5 2.042 0 O-C-N 120.936 -1.103 . . . . 2.54 110.909 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.55 55.75 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.371 1.381 . . . . 1.09 109.492 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 37.2 p-10 -71.39 -37.15 71.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.794 -1.191 . . . . 2.89 110.229 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 79.4 mm-40 -84.91 -34.4 22.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.961 -1.087 . . . . 3.15 109.443 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.32 -43.89 94.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.32 -0.862 . . . . 1.35 109.46 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.63 87.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.303 -0.873 . . . . 1.4 109.259 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -59.6 -44.23 93.47 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.464 -0.939 . . . . 4.21 108.464 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.43 HH11 ' HG3' ' A' ' 64' ' ' ARG . 21.7 ttm-85 -67.13 -33.31 75.16 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.829 -0.804 . . . . 4.01 108.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -59.82 -43.2 94.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.518 -0.739 . . . . 1.23 109.089 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.33 -25.43 28.48 Favored Glycine 0 N--CA 1.496 2.665 0 C-N-CA 120.464 -0.874 . . . . 1.11 111.113 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -63.41 -41.52 98.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.869 -1.371 . . . . 3.18 109.589 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.53 -23.23 62.66 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.225 -0.922 . . . . 4.48 108.644 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -90.81 4.6 51.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.494 -0.754 . . . . 3.03 109.752 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.86 55.27 7.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.908 . . . . 3.8 110.227 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -127.95 150.06 72.53 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.271 -1.011 . . . . 2.86 108.271 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -48.72 -79.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.112 1.208 . . . . 3.55 110.403 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -134.69 149.33 50.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.201 -0.937 . . . . 5.62 109.9 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 ttm -126.26 115.29 19.48 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.374 -0.602 . . . . 2.66 109.374 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -71.07 159.81 34.04 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 1.68 109.34 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.548 ' HH ' ' CD2' ' A' ' 55' ' ' LEU . 57.9 t80 -66.71 -20.53 65.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.689 -0.856 . . . . 1.51 108.689 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.904 -1.122 . . . . 2.53 110.401 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -59.35 -35.33 73.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 4.61 109.067 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.3 mm? -63.24 -41.2 99.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.604 -0.888 . . . . 1.76 108.604 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.3 m -59.19 -43.25 92.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.039 -1.038 . . . . 1.86 109.996 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.539 ' HE ' ' H42' ' B' ' 7' ' ' ' DC' . 1.0 OUTLIER -67.57 -40.08 84.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.728 -1.233 . . . . 5.47 110.113 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.53 -45.75 6.35 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.01 -1.091 . . . . 0.85 110.742 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -63.77 -43.96 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.213 -1.169 . . . . 2.17 108.869 -179.328 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -58.8 -44.29 90.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 2.92 109.822 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 55.0 t80 -76.38 -10.99 59.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.1 -1.0 . . . . 1.64 109.129 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 31.6 t80 -72.28 3.05 5.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.248 -0.907 . . . . 1.27 111.53 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.8 m-85 -75.96 66.99 2.26 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.629 -1.294 . . . . 2.28 108.112 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.91 -55.78 5.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.241 -0.912 . . . . 2.74 110.758 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.613 ' CG ' ' H ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -117.14 -90.39 0.56 Allowed 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.671 0.748 . . . . 3.0 109.302 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.613 ' H ' ' CG ' ' A' ' 89' ' ' LYS . 76.9 m-20 -158.72 90.36 1.0 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.119 -0.697 . . . . 3.23 109.119 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.633 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -136.56 -89.38 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.89 . . . . 1.93 111.345 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.633 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 6.7 tt -96.83 127.45 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.873 -1.142 . . . . 1.67 109.24 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -120.06 159.97 23.73 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.644 0.735 . . . . 2.31 109.39 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.536 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 21.8 pttp -97.04 140.0 32.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.471 -0.768 . . . . 3.29 109.916 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.5 m -90.97 133.8 34.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.444 -0.785 . . . . 1.62 109.52 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.53 18.6 0.55 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 2.87 110.473 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.25 -81.68 0.6 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.55 -1.42 . . . . 2.32 109.55 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.452 ' HG2' ' H ' ' A' ' 99' ' ' ARG . 18.0 tttm -105.96 -161.83 0.83 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.287 -1.125 . . . . 3.99 108.815 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.452 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 97.9 mtt180 -98.07 -23.85 15.58 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.042 -1.036 . . . . 6.26 110.909 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.2 20.28 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.106 -0.996 . . . . 1.66 110.447 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.5 m -92.34 128.15 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.785 -1.197 . . . . 1.63 111.644 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 52.7 m-85 -125.27 155.79 39.6 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.567 -0.901 . . . . 1.6 108.567 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -150.13 158.93 44.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.912 . . . . 3.34 108.578 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.429 ' HB2' ' HE1' ' A' ' 51' ' ' TRP . 60.2 m-85 -130.82 157.96 41.47 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.446 -0.784 . . . . 1.21 109.793 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 118.195 -0.907 . . . . 2.56 109.756 -179.15 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.624 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.469 1 O4'-C1'-N19 111.47 4.588 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.408 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.378 0 O4'-C1'-N19 110.81 3.762 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.586 0 O4'-C1'-N19 110.742 3.678 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.939 1 O4'-C1'-N19 111.403 4.504 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.561 ' C5 ' ' C4 ' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.686 1 O4'-C1'-N19 111.918 5.148 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.561 ' C4 ' ' C5 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 112.062 5.328 . . . . 1.26 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.552 ' N4 ' ' C2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.213 0 O4'-C1'-N19 110.81 3.763 . . . . 1.39 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.426 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.83 3.787 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.483 1 O4'-C1'-N19 111.191 4.239 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.119 4.148 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 1.53 1 O4'-C1'-N19 111.282 4.352 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.761 1 O4'-C1'-N19 112.038 5.298 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.789 1 O4'-C1'-N19 111.085 4.106 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 111.369 4.461 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.865 0 O4'-C1'-N19 110.737 3.671 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 1 O4'-C1'-N19 111.357 4.446 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.057 1 O4'-C1'-N19 111.266 4.332 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 0 O4'-C1'-N19 110.769 3.711 . . . . 2.56 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.422 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.54 3.425 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.42 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.223 4.279 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.553 ' C6 ' ' C6 ' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.036 1 O4'-C1'-N19 111.683 4.854 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.553 ' C6 ' ' C6 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.511 3.388 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.69 1 O4'-C1'-N19 111.603 4.754 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.602 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O4'-C1'-N19 110.6 3.5 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.602 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.462 1 O4'-C1'-N19 111.842 5.052 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 1 O4'-C1'-N19 111.733 4.917 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.551 H2'' " O4'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 C3'-C2'-C1' 106.85 2.964 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.551 " O4'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.848 0 O4'-C1'-N19 110.823 3.779 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.552 ' C2 ' ' N4 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.903 1 O4'-C1'-N19 112.346 5.682 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.553 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.702 0 O4'-C1'-N19 110.68 3.599 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.553 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.634 4.793 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.259 3.073 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.532 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.25 0 O4'-C1'-N19 110.987 3.983 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.532 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.974 3.968 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.537 -0.542 . . . . 3.84 109.537 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -138.87 45.51 0.97 Allowed Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.859 -1.151 . . . . 3.94 110.162 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 9.6 Cg_endo -60.55 -10.79 14.71 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 C-N-CA 121.349 1.366 . . . . 3.96 108.831 178.267 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.49 -38.23 63.47 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.25 -0.648 . . . . 3.43 109.25 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -29.79 71.1 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -0.912 . . . . 3.6 109.149 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.57 -27.35 37.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 3.28 110.022 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -73.47 -36.47 65.84 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.245 -1.391 . . . . 3.69 107.245 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.99 166.84 14.2 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.94 -1.133 . . . . 3.32 107.94 177.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.83 -6.83 73.68 Favored Glycine 0 N--CA 1.498 2.807 0 C-N-CA 119.815 -1.183 . . . . 3.7 110.361 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.468 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 28.2 p90 -75.94 124.17 26.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.848 -1.383 . . . . 4.08 109.099 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -123.84 12.05 9.09 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.532 -0.73 . . . . 5.16 109.039 179.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.93 -4.97 73.7 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.58 -1.408 . . . . 5.28 109.58 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -118.0 15.67 14.21 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.404 -1.057 . . . . 4.97 109.927 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.1 -170.37 51.0 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.305 -1.518 . . . . 4.02 109.305 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -54.03 140.01 70.27 Favored 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.145 1.23 . . . . 3.58 109.455 -179.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.4 pt -76.48 153.97 5.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.322 -0.861 . . . . 3.17 111.102 -178.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 11.5 tm0? -88.04 153.56 21.18 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.044 -1.095 . . . . 1.99 108.044 179.191 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.565 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 9.8 tt -59.38 -55.46 34.38 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.661 -1.275 . . . . 2.17 112.016 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 66.0 p-90 -77.62 -31.77 53.06 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.438 -1.414 . . . . 1.28 111.299 -178.423 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -58.98 -39.97 83.38 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.604 -1.628 . . . . 2.89 106.604 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.22 -51.7 42.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.244 -0.65 . . . . 0.95 109.244 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.417 ' CD1' ' C ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -58.86 -50.48 73.85 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.261 -1.385 . . . . 2.08 107.261 179.669 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.94 -46.45 89.36 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.617 -0.677 . . . . 2.46 110.365 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.44 -41.65 98.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.95 -1.093 . . . . 2.46 108.441 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -41.62 74.8 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.025 -1.102 . . . . 2.1 108.025 179.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.04 -38.17 70.23 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 1.97 109.384 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -93.14 49.02 1.37 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.42 -0.8 . . . . 2.13 110.991 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -106.44 150.53 25.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.152 -0.968 . . . . 3.08 108.961 178.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.5 tppp? -70.23 -15.74 62.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.46 -0.775 . . . . 3.68 110.955 -179.168 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -72.05 62.31 0.46 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.358 -1.464 . . . . 2.78 107.7 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 41.4 t -82.0 -72.22 0.45 Allowed 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.698 0.761 . . . . 2.54 111.196 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' A' ' 42' ' ' SER . 35.3 mt-30 -66.66 150.47 49.0 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.638 -0.664 . . . . 3.73 110.888 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.558 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 5.5 p 84.65 -26.13 0.11 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.607 -0.516 . . . . 2.79 109.607 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 95.1 m-85 -123.67 -29.89 3.66 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.545 -0.722 . . . . 1.84 110.31 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.629 ' CG1' ' H ' ' A' ' 45' ' ' SER . 5.2 tt -165.76 -169.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.99 -1.069 . . . . 1.68 109.927 -178.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.629 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 15.2 t -137.4 124.79 21.93 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.012 -1.055 . . . . 2.19 111.177 -178.25 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.402 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -111.2 114.0 26.9 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 107.526 -1.287 . . . . 1.46 107.526 178.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.2 p -64.97 151.77 45.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.869 -1.144 . . . . 2.47 109.676 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.36 37.57 3.75 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.17 -1.572 . . . . 2.13 109.17 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -108.07 -123.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.442 -0.948 . . . . 3.56 108.442 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.31 0.35 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.277 -1.529 . . . . 1.46 109.277 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -141.8 78.14 1.62 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.227 -1.16 . . . . 1.22 108.725 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -125.58 123.92 40.1 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.699 -1.223 . . . . 2.5 107.699 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -113.94 127.6 56.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.41 -0.806 . . . . 0.89 109.441 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -115.37 134.26 55.27 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.785 0.802 . . . . 2.82 109.979 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.84 115.75 27.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.632 -0.668 . . . . 1.9 109.377 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 41.1 p -79.17 -72.27 0.4 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.025 -1.047 . . . . 1.97 110.049 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 56' ' ' SER . 40.5 t0 -144.44 69.77 15.6 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 120.777 -1.202 . . . . 2.54 110.37 -179.772 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -62.62 56.09 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.663 1.576 . . . . 1.09 111.023 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 91.2 m-20 -74.3 -33.09 63.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.179 -1.575 . . . . 2.89 109.861 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -85.35 -34.36 21.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.975 -1.078 . . . . 3.15 109.222 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.65 -43.04 90.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.086 -0.709 . . . . 1.35 109.086 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.85 95.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 1.4 109.836 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' A' ' 63' ' ' ARG . 16.5 mtt-85 -64.08 -42.68 96.87 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.136 -1.026 . . . . 4.21 108.786 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -66.14 -36.43 83.1 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.711 -0.796 . . . . 4.01 109.145 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -60.0 -40.86 90.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.218 -0.926 . . . . 1.23 109.425 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.95 -29.8 19.48 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.383 -1.087 . . . . 1.11 110.383 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -61.62 -43.92 97.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -1.217 . . . . 3.18 109.719 -179.086 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 1.2 mmp_? -62.25 -10.73 11.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.443 -0.786 . . . . 4.48 109.709 179.619 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -95.78 13.69 25.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.215 -0.928 . . . . 3.03 108.866 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 57.12 49.78 13.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.134 -0.979 . . . . 3.8 109.543 -179.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 72' ' ' PRO . 13.3 mptt -130.51 161.3 61.58 Favored Pre-proline 0 N--CA 1.503 2.202 0 N-CA-C 108.238 -1.023 . . . . 2.86 108.238 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.1 Cg_endo -59.26 -150.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.905 0 N-CA-C 108.442 -1.407 . . . . 3.55 108.442 178.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -86.94 130.17 34.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.521 -1.362 . . . . 5.62 108.972 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.01 136.95 52.56 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.536 0.684 . . . . 2.66 109.698 -179.135 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -74.6 174.01 9.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.761 . . . . 1.68 110.613 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.04 -17.44 63.26 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.431 0.634 . . . . 1.51 109.701 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.91 -36.4 74.65 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.923 -1.11 . . . . 2.53 110.005 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -31.44 68.65 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.671 -1.268 . . . . 4.61 109.652 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 83' ' ' LEU . 5.2 mt -67.19 -48.69 67.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.814 -1.179 . . . . 1.76 109.302 179.784 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 99.6 p -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.914 -1.116 . . . . 1.86 109.056 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.588 ' O ' ' NH1' ' A' ' 84' ' ' ARG . 82.8 mtm180 -63.41 -41.41 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 5.47 109.574 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.4 -43.41 6.57 Favored Glycine 0 N--CA 1.496 2.644 0 O-C-N 120.927 -1.108 . . . . 0.85 111.604 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -61.03 -49.75 76.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.849 -1.383 . . . . 2.17 109.819 -178.608 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.623 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -55.24 -45.15 76.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.436 -1.415 . . . . 2.92 109.026 -178.799 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.435 ' N ' ' CG ' ' A' ' 84' ' ' ARG . 75.6 t80 -58.63 -18.44 30.51 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.787 -1.196 . . . . 1.64 108.645 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -75.41 63.64 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.286 -0.884 . . . . 1.27 110.428 -179.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.623 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 39.8 m-85 -117.43 6.74 12.64 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.281 -1.007 . . . . 2.28 108.281 177.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -70.56 -42.95 70.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 2.74 109.175 -179.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -104.51 134.23 48.04 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.14 -1.059 . . . . 3.0 108.14 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -80.89 86.69 6.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.74 -1.208 . . . . 3.23 107.74 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.01 -40.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 107.946 -1.131 . . . . 1.93 107.946 -178.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.12 133.54 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.465 -0.772 . . . . 1.67 109.354 179.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -135.43 156.0 49.62 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.716 -0.846 . . . . 2.31 108.716 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.402 ' CD ' ' HH ' ' A' ' 87' ' ' TYR . 27.1 mtpp -77.09 150.57 35.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.328 -0.857 . . . . 3.29 110.31 -179.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.449 ' C ' ' H ' ' A' ' 97' ' ' GLY . 38.7 m -86.95 143.7 27.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 1.62 108.383 179.184 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.78 10.52 0.67 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.367 -0.833 . . . . 2.87 109.854 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -81.84 -103.96 0.39 Allowed Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.116 -1.594 . . . . 2.32 109.116 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -102.08 176.46 5.19 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.477 -1.014 . . . . 3.99 109.208 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -81.92 -9.08 59.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.482 -0.761 . . . . 6.26 110.157 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -98.53 -9.0 25.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.95 . . . . 1.66 110.004 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.5 m -95.48 137.28 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.692 -1.255 . . . . 1.63 111.292 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -114.61 170.8 8.05 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.495 -0.753 . . . . 1.6 109.676 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.05 156.81 39.46 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.953 -1.128 . . . . 3.34 107.953 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -130.66 163.05 28.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.199 -0.938 . . . . 1.21 110.67 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.097 -0.954 . . . . 2.56 108.882 179.93 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.518 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 111.411 4.514 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.129 1 O4'-C1'-N19 111.107 4.134 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.333 4.416 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 1 O4'-C1'-N19 111.469 4.587 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.553 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.776 4.97 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.655 H2'' ' OP2' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 112.311 5.639 . . . . 1.26 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.655 ' OP2' H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.284 1 O4'-C1'-N19 111.736 4.92 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.613 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.689 0 O4'-C1'-N19 110.941 3.926 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.617 4.772 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.061 1 O4'-C1'-N19 111.625 4.781 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 1 O4'-C1'-N19 111.281 4.351 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.404 4.506 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.435 4.543 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.393 4.492 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.453 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.566 0 C3'-C2'-C1' 106.803 2.93 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.435 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.915 1 O4'-C1'-N19 111.213 4.266 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.481 1 O4'-C1'-N19 111.194 4.242 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.8 3.749 . . . . 2.56 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.484 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.958 0 O4'-C1'-N19 110.311 3.138 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.484 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.802 3.752 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.409 ' C2 ' ' C2 ' ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.67 4.837 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.563 1 O4'-C1'-N19 111.134 4.168 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 1 O4'-C1'-N19 111.62 4.774 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.429 " H5'" ' HZ2' ' A' ' 69' ' ' LYS . . . . . . . . 0 C5'--C4' 1.53 2.421 0 O4'-C1'-N19 110.856 3.82 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.481 ' OP1' ' SD ' ' A' ' 74' ' ' MET . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.764 4.955 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.536 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.511 1 O4'-C1'-N19 111.066 4.082 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.536 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.39 4.488 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.532 ' N2 ' ' C6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.047 4.059 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.486 ' N2 ' ' N3 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.387 1 O4'-C1'-N19 112.156 5.445 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.473 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.447 4.559 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.473 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.295 1 O4'-C1'-N19 111.521 4.651 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.48 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.221 0 C3'-C2'-C1' 106.934 3.025 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.534 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.925 3.906 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.534 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.107 4.134 . . . . 2.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.5 0.666 . . . . 3.84 109.433 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -143.79 60.13 8.0 Favored Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 120.856 -1.152 . . . . 3.94 108.14 179.407 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 13.5 Cg_endo -71.01 -8.09 22.84 Favored 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.174 1.249 . . . . 3.96 108.868 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.16 -52.24 27.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.548 -0.72 . . . . 3.43 110.463 -178.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.61 -21.92 64.78 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.039 -1.038 . . . . 3.6 109.31 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.65 -15.24 35.45 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.462 -0.774 . . . . 3.28 110.327 -179.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.66 -60.76 2.24 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.783 -1.198 . . . . 3.69 108.624 179.566 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.43 -3.44 58.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 3.32 110.507 -179.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.15 74.06 0.42 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 108.114 -1.994 . . . . 3.7 108.114 -178.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.453 ' CZ ' ' NH2' ' A' ' 68' ' ' ARG . 15.2 t80 -74.09 127.77 33.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.591 -0.947 . . . . 4.08 110.59 -178.119 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 m -97.27 142.42 29.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.702 -0.624 . . . . 5.16 109.342 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.08 -24.76 52.11 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.284 -1.526 . . . . 5.28 109.284 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.9 m -107.66 148.6 29.16 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.458 -1.024 . . . . 4.97 109.915 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 69.51 1.39 Allowed Glycine 0 N--CA 1.488 2.125 0 N-CA-C 108.979 -1.648 . . . . 4.02 108.979 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -58.85 140.36 94.83 Favored 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.254 1.303 . . . . 3.58 109.594 -179.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.42 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.3 tt -78.09 177.63 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 N-CA-C 108.533 -0.914 . . . . 3.17 108.533 179.777 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.749 ' NE2' ' H ' ' A' ' 29' ' ' GLN . 1.5 tm0? -80.47 158.09 25.99 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.237 -0.915 . . . . 1.99 110.09 -179.371 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.539 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -53.6 -78.06 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 113.212 0.819 . . . . 2.17 113.212 -176.47 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.656 ' CD1' ' NE2' ' A' ' 26' ' ' GLN . 66.2 p-90 -56.65 -25.42 53.45 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.203 -1.561 . . . . 1.28 111.004 -176.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.749 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 8.6 mm100 -64.01 -40.56 96.63 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.322 -1.362 . . . . 2.89 107.322 177.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 25.9 t80 -65.72 -52.63 49.72 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.527 -0.733 . . . . 0.95 109.371 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.81 -44.48 89.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 2.08 110.618 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.75 -43.15 89.78 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.149 -0.969 . . . . 2.46 110.536 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.2 -45.73 90.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.971 -1.08 . . . . 2.46 109.142 -178.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -67.59 -31.01 70.77 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.605 -0.887 . . . . 2.1 108.605 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.64 -40.22 86.94 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.246 -0.909 . . . . 1.97 110.609 -178.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -110.16 65.4 0.62 Allowed 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.317 -0.864 . . . . 2.13 109.855 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 53.8 p-10 -135.81 -125.5 0.15 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.608 0.718 . . . . 3.08 109.49 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -56.87 169.76 0.48 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.33 -0.857 . . . . 3.68 110.145 179.747 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -75.5 104.88 6.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 2.78 107.715 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.6 t -86.25 0.88 52.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.54 109.561 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.2 -30.45 64.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.054 -1.029 . . . . 3.73 109.771 -179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -80.38 -15.02 57.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.112 -0.992 . . . . 2.79 109.158 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -114.68 -10.35 12.47 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.219 -0.926 . . . . 1.84 109.495 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.3 tt -161.6 -171.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.142 -0.973 . . . . 1.68 109.197 -179.315 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.437 ' H ' HG12 ' A' ' 44' ' ' ILE . 46.9 t -113.98 111.89 22.4 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.027 -1.045 . . . . 2.19 110.062 -179.439 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.99 109.73 19.33 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.587 -1.264 . . . . 1.46 107.587 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 48' ' ' GLY . 11.4 t -52.91 -177.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.837 -1.165 . . . . 2.47 110.891 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -56.93 -117.45 0.01 OUTLIER Glycine 0 N--CA 1.495 2.63 0 O-C-N 121.336 -0.853 . . . . 2.13 111.138 -179.184 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -109.84 17.29 21.34 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.946 -1.326 . . . . 3.56 111.082 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.18 -115.61 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.716 -1.753 . . . . 1.46 108.716 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -168.06 61.77 0.07 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.179 -1.189 . . . . 1.22 109.611 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' H ' ' CG2' ' A' ' 47' ' ' THR . 16.8 tp10 -122.41 102.48 8.12 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.409 -1.7 . . . . 2.5 106.409 178.389 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -106.15 119.52 39.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.488 -0.758 . . . . 0.89 110.192 -177.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -114.97 130.19 56.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.868 -0.79 . . . . 2.82 108.868 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 10.2 mp -87.64 97.96 11.16 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.543 -0.723 . . . . 1.9 110.414 -178.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 46.4 t -77.64 -60.44 2.37 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.58 -0.7 . . . . 1.97 110.42 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 56' ' ' SER . 94.9 m-20 -139.38 77.61 29.1 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.133 -0.979 . . . . 2.54 111.375 -178.549 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -76.15 57.11 5.15 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 121.684 1.589 . . . . 1.09 108.329 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.77 -41.29 68.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -0.83 . . . . 2.89 109.962 -179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -87.08 -30.59 21.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 3.15 109.455 -178.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -68.31 -54.03 24.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.35 -0.844 . . . . 1.35 110.154 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.53 97.23 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 1.4 110.092 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.533 ' CG ' HH11 ' A' ' 63' ' ' ARG . 0.6 OUTLIER -59.4 -44.01 92.9 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.81 -1.181 . . . . 4.21 108.61 -179.799 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -74.29 -31.81 62.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.333 -0.855 . . . . 4.01 109.453 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -59.94 -35.16 74.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.054 -1.029 . . . . 1.23 110.076 -179.305 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.42 -25.02 44.78 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.748 -1.341 . . . . 1.11 109.748 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -60.01 -36.06 76.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.028 -1.277 . . . . 3.18 109.606 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' NH2' ' CZ ' ' A' ' 19' ' ' TYR . 31.1 mmt180 -58.4 -31.77 68.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.085 -1.009 . . . . 4.48 109.617 -179.435 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HZ2' " H5'" ' C' ' 24' ' ' ' DT' . 7.9 mmtp -98.7 7.13 46.45 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.25 -0.906 . . . . 3.03 109.534 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.99 37.86 11.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.475 -0.766 . . . . 3.8 109.094 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 73' ' ' LYS . 31.0 mtmm -140.22 69.01 34.1 Favored Pre-proline 0 N--CA 1.497 1.902 0 N-CA-C 108.952 -0.758 . . . . 2.86 108.952 178.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -56.37 -9.3 3.43 Favored 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 121.854 1.703 . . . . 3.55 110.437 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 71' ' ' LYS . 21.8 mmmt -90.4 24.01 2.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.864 . . . . 5.62 109.458 -179.365 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.481 ' SD ' ' OP1' ' C' ' 25' ' ' ' DT' . 8.4 mmm -81.36 119.05 23.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.135 -0.978 . . . . 2.66 109.433 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.727 ' ND2' ' HZ1' ' A' ' 78' ' ' LYS . 21.8 p30 -72.81 169.79 16.02 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.954 0.883 . . . . 1.68 110.803 -179.678 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -70.84 -29.62 65.8 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.653 0.74 . . . . 1.51 109.087 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.04 -30.87 69.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.32 -0.862 . . . . 2.53 110.255 -178.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.727 ' HZ1' ' ND2' ' A' ' 75' ' ' ASN . 60.4 mttp -58.96 -37.3 76.46 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.881 -1.137 . . . . 4.61 109.204 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.29 -49.23 67.76 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.012 -1.055 . . . . 1.76 109.057 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -59.47 -43.74 93.19 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.029 -1.1 . . . . 1.86 108.029 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.484 HH22 ' H42' ' B' ' 7' ' ' ' DC' . 50.6 mtt-85 -68.96 -43.31 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.208 -0.932 . . . . 5.47 108.616 178.378 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . -67.8 -46.81 64.9 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 110.059 -1.217 . . . . 0.85 110.059 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.6 mt -67.73 -30.39 69.86 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.747 -1.443 . . . . 2.17 109.887 -179.759 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -50.18 -50.02 50.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.984 -1.072 . . . . 2.92 109.524 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -73.07 -22.55 60.57 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.45 -0.781 . . . . 1.64 109.877 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -75.98 70.05 2.65 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.503 -0.748 . . . . 1.27 109.836 -178.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 16.8 m-85 -140.55 22.34 2.34 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.91 -0.774 . . . . 2.28 108.91 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -78.78 -37.97 39.68 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.115 -1.068 . . . . 2.74 108.115 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -103.85 141.7 35.68 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.53 -1.285 . . . . 3.0 107.53 178.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -80.15 92.24 5.65 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.607 -1.257 . . . . 3.23 107.607 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.409 HG12 ' CG ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -139.77 -51.98 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 115.859 -0.609 . . . . 1.93 109.907 -178.181 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.504 ' CG1' ' CE2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -129.88 128.88 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.033 -1.042 . . . . 1.67 109.862 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -128.94 160.17 33.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.312 -0.867 . . . . 2.31 109.478 -179.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.553 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 27.7 ttpp -94.75 139.38 31.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.441 -0.787 . . . . 3.29 109.594 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 97' ' ' GLY . 32.1 m -87.56 141.61 28.49 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.225 -0.922 . . . . 1.62 110.129 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.35 19.71 0.1 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.526 -0.733 . . . . 2.87 111.234 -178.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -79.27 -94.89 0.31 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 108.75 -1.74 . . . . 2.32 108.75 179.171 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.456 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 42.0 mmtm -107.53 -179.16 3.83 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.31 -1.112 . . . . 3.99 108.312 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -80.23 -8.88 59.65 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.399 -0.813 . . . . 6.26 110.836 -178.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.499 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 85.0 m-85 -106.86 11.24 30.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.085 -1.009 . . . . 1.66 110.682 -178.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.456 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 2.2 t -94.92 132.51 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.892 -1.13 . . . . 1.63 111.218 -177.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -123.01 157.48 32.63 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.493 -0.928 . . . . 1.6 108.493 178.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -146.82 158.34 43.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.021 -1.049 . . . . 3.34 109.226 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.504 ' CE2' ' CG1' ' A' ' 92' ' ' ILE . 38.0 m-85 -134.36 159.94 39.47 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.584 -0.698 . . . . 1.21 110.714 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 117.828 -1.082 . . . . 2.56 109.943 -179.202 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.481 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.607 0 O4'-C1'-N19 110.947 3.933 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.445 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.1 1 O4'-C1'-N19 111.316 4.395 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.464 " O5'" ' H8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.558 0 O4'-C1'-N19 110.773 3.716 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 1 O4'-C1'-N19 111.529 4.661 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.644 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.521 1 O4'-C1'-N19 112.168 5.46 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.644 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.524 1 O4'-C1'-N19 111.379 4.474 . . . . 1.26 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.479 ' OP2' ' NE ' ' A' ' 99' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.055 1 O4'-C1'-N19 112.096 5.371 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.525 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.828 3.785 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.452 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 112.298 5.622 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.912 3.89 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.412 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.609 4.761 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.412 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.082 1 O4'-C1'-N19 111.996 5.245 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.478 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.209 1 O4'-C1'-N19 111.174 4.217 . . . . 1.29 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.478 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.727 4.908 . . . . 1.35 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 0 O4'-C1'-N19 110.425 3.282 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.403 H2'' " O5'" ' B' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.067 4.084 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . 0.403 " O5'" H2'' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.103 1 O4'-C1'-N19 111.322 4.403 . . . . 2.51 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.384 1 O4'-C1'-N19 111.26 4.324 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.418 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.423 3.279 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.418 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.213 0 O4'-C1'-N19 110.997 3.996 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.488 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.217 4.272 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.488 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.316 1 O4'-C1'-N19 111.462 4.577 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.346 1 O4'-C1'-N19 111.649 4.812 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.075 2.844 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.069 1 O4'-C1'-N19 111.829 5.037 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.972 3.965 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.495 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.732 1 O4'-C1'-N19 111.076 4.094 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.495 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.045 0 O4'-C1'-N19 110.941 3.926 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.74 4.925 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 0 O4'-C1'-N19 110.768 3.71 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 111.204 4.255 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 C3'-C2'-C1' 106.781 2.915 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.468 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.295 4.368 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.468 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O4'-C1'-N19 110.753 3.691 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 109.403 -0.591 . . . . 3.84 109.403 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.545 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -143.73 54.45 2.99 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.214 -0.929 . . . . 3.94 108.947 179.274 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 11.0 Cg_endo -66.88 -5.6 13.76 Favored 'Trans proline' 0 C--N 1.321 -0.888 0 N-CA-C 108.476 -1.394 . . . . 3.96 108.476 179.562 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.1 94.69 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.473 0.654 . . . . 3.43 109.419 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.22 95.0 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.378 -0.826 . . . . 3.6 110.165 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.71 -20.85 30.53 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.017 -1.052 . . . . 3.28 110.71 -178.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' PRO . 7.9 tp -86.78 -12.99 46.46 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.724 -1.235 . . . . 3.69 108.668 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.36 -70.91 0.39 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.034 -1.041 . . . . 3.32 109.456 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.95 24.02 25.54 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.556 -1.818 . . . . 3.7 108.556 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.06 155.81 39.72 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.438 -1.036 . . . . 4.08 108.539 -179.334 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.536 ' C ' ' H ' ' A' ' 22' ' ' SER . 85.1 m -91.86 135.85 33.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.938 -1.102 . . . . 5.16 108.711 179.66 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.98 38.91 0.3 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 110.042 -1.223 . . . . 5.28 110.042 -179.232 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.536 ' H ' ' C ' ' A' ' 20' ' ' THR . 47.3 t -108.12 112.4 24.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.495 -1.003 . . . . 4.97 108.938 179.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.35 160.45 5.0 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.179 -1.569 . . . . 4.02 109.179 179.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -64.23 143.41 83.49 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 121.073 1.182 . . . . 3.58 110.144 179.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.7 tt -74.11 162.37 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 3.17 108.78 179.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 2.6 tm0? -76.29 146.34 38.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.82 -1.175 . . . . 1.99 108.181 -179.405 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.503 ' N ' ' CD ' ' A' ' 26' ' ' GLN . 7.7 tt -75.67 -67.15 0.7 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 2.17 112.961 -177.119 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 32.5 p-90 -65.81 -30.61 71.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.439 -1.413 . . . . 1.28 112.761 -176.345 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.59 -41.5 90.44 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.217 -1.552 . . . . 2.89 108.058 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.53 -49.09 62.21 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.626 0.726 . . . . 0.95 109.392 179.291 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.44 -43.98 95.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.546 -0.721 . . . . 2.08 109.066 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 tp -67.24 -41.04 86.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.479 -0.763 . . . . 2.46 110.077 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.2 -40.02 84.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.06 -1.025 . . . . 2.46 110.021 -179.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.91 -39.43 94.16 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.918 -1.114 . . . . 2.1 110.318 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.94 -43.28 95.08 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.17 -0.957 . . . . 1.97 110.564 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -94.55 12.59 26.91 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.961 -1.087 . . . . 2.13 111.069 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -118.43 -92.84 0.52 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.157 -0.964 . . . . 3.08 110.811 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -52.89 165.22 0.31 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.531 -0.73 . . . . 3.68 109.646 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -66.43 -130.29 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.219 -1.03 . . . . 2.78 108.219 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ILE . 1.3 p 179.0 -42.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.864 -1.148 . . . . 2.54 109.826 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -54.61 -26.02 30.14 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.774 -0.579 . . . . 3.73 111.139 -178.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -74.91 -34.34 62.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.914 -1.116 . . . . 2.79 111.122 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CE2' ' OE1' ' A' ' 60' ' ' GLU . 71.6 m-85 -128.78 -1.93 5.35 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.171 -0.956 . . . . 1.84 111.474 -178.616 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.9 tt -164.39 -170.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.458 -1.401 . . . . 1.68 109.689 -178.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 44' ' ' ILE . 2.8 p -132.97 120.68 21.73 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.95 -1.093 . . . . 2.19 110.313 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -106.14 108.56 20.13 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.09 -1.448 . . . . 1.46 107.09 179.63 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 52' ' ' GLU . 61.3 p -58.27 149.19 24.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.92 -1.113 . . . . 2.47 110.084 -179.099 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.32 47.07 1.11 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.577 -1.409 . . . . 2.13 109.577 179.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -117.43 -118.63 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.491 -1.005 . . . . 3.56 108.787 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.4 -86.47 0.97 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.449 -1.46 . . . . 1.46 109.449 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 68.9 t-105 -146.16 57.88 1.21 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.095 -1.238 . . . . 1.22 109.627 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 58.0 mp0 -104.8 120.92 42.53 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.804 -0.813 . . . . 2.5 108.804 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -117.72 128.26 54.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.38 -0.825 . . . . 0.89 109.294 -179.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -127.07 133.93 50.37 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 122.095 0.95 . . . . 2.82 109.866 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 7.8 mp -86.51 97.81 10.7 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.856 -0.528 . . . . 1.9 110.396 -179.185 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.4 m -78.19 -59.99 2.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 1.97 110.279 179.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -134.0 78.66 59.07 Favored Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 121.31 -0.869 . . . . 2.54 110.363 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -75.19 54.42 3.73 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 C-N-CA 121.401 1.401 . . . . 1.09 109.544 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.45 -41.55 69.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.824 -1.172 . . . . 2.89 110.648 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE1' ' CE2' ' A' ' 43' ' ' PHE . 68.8 mt-10 -87.71 -33.92 18.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.686 -1.259 . . . . 3.15 109.721 -179.242 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.65 -45.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.277 -0.89 . . . . 1.35 108.983 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.08 80.96 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.305 -0.872 . . . . 1.4 109.177 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -68.79 -43.9 74.69 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 4.21 109.89 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.76 -39.93 95.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.227 -0.921 . . . . 4.01 110.035 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.82 -37.44 71.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.115 -0.991 . . . . 1.23 108.761 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.37 -22.01 49.41 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.844 -1.303 . . . . 1.11 109.844 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -65.81 -35.95 82.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.96 -1.317 . . . . 3.18 109.659 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -57.44 -38.64 74.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.266 -0.896 . . . . 4.48 108.905 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.91 14.56 31.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.721 . . . . 3.03 109.514 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 58.23 51.97 7.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.729 -0.607 . . . . 3.8 110.528 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -140.89 69.85 29.5 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.047 -1.033 . . . . 2.86 109.546 178.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -72.61 -4.77 15.92 Favored 'Trans proline' 0 C--N 1.319 -1.006 0 C-N-CA 122.028 1.819 . . . . 3.55 111.35 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -99.1 7.97 45.37 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.858 -1.151 . . . . 5.62 111.769 -178.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.4 mmt -88.84 123.07 32.87 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.65 -1.281 . . . . 2.66 109.394 179.48 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' ND2' ' CG ' ' A' ' 77' ' ' GLU . 52.8 p-10 -67.3 -179.89 1.11 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.93 0.872 . . . . 1.68 111.183 -179.161 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.92 -20.4 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.067 -0.716 . . . . 1.51 109.067 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' CG ' ' ND2' ' A' ' 75' ' ' ASN . 65.4 mm-40 -60.09 -31.87 70.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 2.53 108.941 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -55.22 -38.07 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.716 -0.846 . . . . 4.61 108.716 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 83' ' ' LEU . 9.5 mt -66.9 -39.4 87.41 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.302 -0.873 . . . . 1.76 108.664 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.416 ' OG ' ' OP2' ' B' ' 7' ' ' ' DC' . 58.8 m -65.05 -47.02 78.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.96 -1.088 . . . . 1.86 109.884 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.437 HH21 ' H41' ' B' ' 7' ' ' ' DC' . 99.2 mtt180 -64.25 -33.82 76.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.112 -0.993 . . . . 5.47 109.894 -179.084 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.2 -55.3 1.73 Allowed Glycine 0 N--CA 1.492 2.378 0 C-N-CA 120.291 -0.957 . . . . 0.85 110.853 -178.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 79' ' ' LEU . 2.6 tt -61.48 -38.01 85.74 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.117 -1.225 . . . . 2.17 110.123 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.525 ' NE ' ' OP2' ' B' ' 8' ' ' ' DG' . 8.2 tmm_? -59.87 -50.46 73.69 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.183 -1.573 . . . . 2.92 109.349 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.413 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 63.0 t80 -57.37 -11.78 2.07 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.987 -1.071 . . . . 1.64 109.2 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' A' ' 88' ' ' ASP . 4.5 t80 -74.06 9.4 1.59 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.586 -0.696 . . . . 1.27 111.213 -178.581 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -76.81 13.04 1.11 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.686 -1.259 . . . . 2.28 109.262 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 86' ' ' TYR . 73.0 m-20 -71.25 -40.05 71.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 2.74 108.441 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -108.32 135.12 50.17 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.819 -0.808 . . . . 3.0 108.819 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -82.53 86.87 6.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.046 -1.034 . . . . 3.23 108.329 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.483 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -130.23 -57.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.815 -1.18 . . . . 1.93 107.815 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.483 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 14.9 tt -114.59 123.98 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.249 -0.907 . . . . 1.67 109.27 179.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -110.15 147.6 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.312 -0.868 . . . . 2.31 109.606 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 94' ' ' LYS . 2.1 ttmp? -91.05 154.97 19.03 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.655 -0.869 . . . . 3.29 108.655 179.699 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 97' ' ' GLY . 28.4 m -85.74 139.44 31.34 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.423 -1.423 . . . . 1.62 108.706 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.21 46.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.426 -0.796 . . . . 2.87 110.747 -178.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.416 ' H ' HG23 ' A' ' 95' ' ' THR . . . -78.55 -96.84 0.25 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.52 -1.432 . . . . 2.32 109.52 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -106.19 165.08 11.5 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.589 -0.948 . . . . 3.99 108.912 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.747 HH22 ' HH ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -85.8 -17.21 36.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.91 -1.119 . . . . 6.26 110.734 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -71.68 -5.56 34.69 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.772 -1.205 . . . . 1.66 110.095 -178.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.48 120.29 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-O 121.875 0.845 . . . . 1.63 110.059 178.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.747 ' HH ' HH22 ' A' ' 99' ' ' ARG . 11.2 m-85 -105.33 150.88 24.81 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.517 -0.739 . . . . 1.6 109.257 179.122 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -142.58 164.9 28.87 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.616 -0.883 . . . . 3.34 108.616 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 28.4 m-85 -131.15 162.05 30.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.508 -0.745 . . . . 1.21 110.273 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 118.126 -0.94 . . . . 2.56 109.776 -179.282 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.607 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.139 4.173 . . . . 2.13 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.402 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.249 4.311 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.248 4.31 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.377 5.721 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C1'-N19 110.724 3.655 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.582 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C1'-N19 111.478 4.598 . . . . 1.26 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.582 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.552 4.69 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.612 ' N7 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.42 1 O4'-C1'-N19 111.416 4.52 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.589 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.972 5.215 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 1 O4'-C1'-N19 111.927 5.158 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.43 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.061 4.076 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.43 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.298 4.373 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.946 5.182 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 1 O4'-C1'-N19 111.131 4.164 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.543 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 C3'-C2'-C1' 107.025 3.089 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.543 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.542 4.677 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.324 4.405 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.368 4.46 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.486 3.357 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.247 4.308 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.45 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 112.113 5.391 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.489 ' OP1' ' NZ ' ' A' ' 89' ' ' LYS . . . . . . . . 0 O4'--C1' 1.448 2.124 1 O4'-C1'-N19 111.944 5.18 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 1 O4'-C1'-N19 111.442 4.552 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.62 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.354 1 O4'-C1'-N19 111.114 4.143 . . . . 1.24 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.62 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.848 5.06 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.484 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.808 3.76 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.484 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O4'-C1'-N19 110.75 3.687 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.314 4.392 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.532 ' C2 ' ' C4 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 112.402 5.752 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.537 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.587 0 O4'-C1'-N19 110.457 3.321 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.537 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.572 4.715 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.422 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.17 2.963 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.417 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.945 3.931 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.417 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 110.959 3.949 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.855 -0.424 . . . . 3.84 109.855 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 tp -139.6 64.58 30.41 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 3.94 109.096 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.88 -3.49 12.85 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 N-CA-C 108.04 -1.562 . . . . 3.96 108.04 178.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.23 -51.27 47.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.782 -0.574 . . . . 3.43 110.005 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.55 67.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.295 -0.878 . . . . 3.6 108.814 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.83 -33.62 27.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.728 -0.608 . . . . 3.28 110.59 -179.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.78 -39.23 44.76 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.126 -0.983 . . . . 3.69 109.545 -179.222 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -84.03 -15.53 47.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.296 -0.878 . . . . 3.32 109.929 -179.7 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.66 -7.11 9.52 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.67 -1.772 . . . . 3.7 108.67 -179.506 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.486 ' H ' ' C ' ' A' ' 17' ' ' ALA . 1.2 t80 -72.17 121.1 18.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.912 -0.757 . . . . 4.08 109.765 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 m -126.31 -112.11 0.29 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.738 -0.838 . . . . 5.16 108.738 179.425 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.88 57.53 3.31 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.74 -1.344 . . . . 5.28 109.74 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 t -106.74 40.58 1.61 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.313 -1.11 . . . . 4.97 109.312 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 170.53 47.11 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.05 -2.02 . . . . 4.02 108.05 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -68.93 129.59 18.76 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.078 1.041 . . . . 3.58 110.725 -179.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.436 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt -84.11 -176.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 3.17 108.395 178.803 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.99 108.712 -179.736 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.543 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 2.17 111.297 -178.108 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.28 112.011 -177.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.89 108.256 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.95 108.747 178.134 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 2.08 110.492 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 2.46 109.621 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 2.1 109.377 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' CZ2' ' A' ' 46' ' ' TRP . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.97 110.587 -178.643 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 2.13 112.057 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.494 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.68 110.149 -179.359 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.78 111.326 -178.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.494 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.54 110.158 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.73 111.081 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.79 111.51 -178.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.84 109.747 -178.585 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.491 ' CG1' ' N ' ' A' ' 45' ' ' SER . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.68 108.019 -178.27 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 2.19 110.058 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.47 109.705 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 2.13 109.273 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.46 107.908 179.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.22 109.701 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.89 108.999 -178.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.82 110.392 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.9 108.949 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.97 109.957 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 1.35 108.835 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 1.4 108.887 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 4.21 108.871 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 4.01 110.563 179.535 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.23 110.981 -178.098 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.11 110.866 -178.294 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 3.18 108.15 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 4.48 109.578 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 3.03 108.904 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.8 110.353 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.86 108.785 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 3.55 109.728 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.62 109.121 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.66 109.491 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.68 110.612 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.51 108.55 179.029 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.61 108.965 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.76 108.572 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.86 109.117 178.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.612 ' NH1' ' N7 ' ' B' ' 8' ' ' ' DG' . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 5.47 110.627 -179.115 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.85 111.163 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 2.17 109.557 -178.734 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.92 108.845 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.64 109.962 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 2.28 107.49 179.484 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.489 ' NZ ' ' OP1' ' C' ' 22' ' ' ' DA' . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 3.0 109.052 -179.52 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 3.23 109.113 179.221 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.575 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.93 111.335 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.575 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.67 109.372 -178.466 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 2.31 109.951 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 3.29 109.913 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.62 108.762 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.87 110.938 -178.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.513 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.99 108.855 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 6.26 110.903 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.66 111.004 -178.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.513 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.63 111.704 -178.287 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.6 108.629 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 3.34 109.782 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.21 109.809 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 2.56 109.771 -178.687 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.559 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.841 3.801 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.559 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.244 3.055 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.977 3.971 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C1'-N19 110.251 3.064 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 1 O4'-C1'-N19 111.688 4.86 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.606 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.223 3.029 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.606 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.695 1 O4'-C1'-N19 111.97 5.213 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.584 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.752 0 O4'-C1'-N19 110.901 3.876 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.493 ' O6 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.295 4.368 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.623 ' N6 ' HH12 ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.722 4.902 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.416 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.538 4.672 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.416 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 112.185 5.482 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 1 O4'-C1'-N19 111.368 4.46 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 111.031 4.038 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C3'-C2'-C1' 107.001 3.072 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.19 4.238 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 1 O4'-C1'-N19 111.299 4.374 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.655 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 110.861 3.826 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.608 0 O4'-C1'-N19 110.816 3.77 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.595 4.743 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.493 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.778 4.972 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.493 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.596 0 O4'-C1'-N19 110.588 3.485 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 112.159 5.449 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.453 ' P ' ' HZ3' ' A' ' 78' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.256 0 O4'-C1'-N19 110.495 3.369 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.435 ' O4 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.905 5.131 . . . . 1.22 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.492 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.004 1 O4'-C1'-N19 111.607 4.759 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.51 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.317 3.146 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.534 ' N2 ' ' C6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.332 4.415 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.836 5.045 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.494 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.237 0 O4'-C1'-N19 110.775 3.719 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.494 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.296 4.37 . . . . 1.28 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.465 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-N19 110.272 3.091 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.491 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.912 1 O4'-C1'-N19 111.291 4.364 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.491 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.026 4.033 . . . . 2.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.251 0.548 . . . . 3.84 109.532 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.62 ' C ' ' H ' ' A' ' 13' ' ' ALA . 1.1 pp -142.76 61.5 11.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.24 -0.913 . . . . 3.94 108.735 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.91 29.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.716 1.61 . . . . 3.96 111.257 -178.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.62 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -103.77 -169.64 1.67 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 3.43 110.791 -179.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -10.48 25.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.778 -0.576 . . . . 3.6 109.604 179.362 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.71 -11.58 59.89 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.607 -1.257 . . . . 3.28 107.607 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -84.76 -66.7 0.86 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.592 -1.262 . . . . 3.69 107.592 178.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.13 -66.34 0.88 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.303 -0.999 . . . . 3.32 108.303 178.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.81 27.03 73.14 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.729 -0.948 . . . . 3.7 110.729 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -74.18 133.73 42.75 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.977 -1.308 . . . . 4.08 109.561 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.565 ' C ' ' H ' ' A' ' 22' ' ' SER . 73.4 p -94.64 -158.12 0.61 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.258 -0.901 . . . . 5.16 110.078 -179.553 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.73 8.22 0.14 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.508 -1.037 . . . . 5.28 110.508 -179.359 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.565 ' H ' ' C ' ' A' ' 20' ' ' THR . 39.3 m -98.32 131.33 44.71 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.073 -1.251 . . . . 4.97 108.069 179.038 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.64 64.15 4.33 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.358 -1.497 . . . . 4.02 109.358 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -57.87 121.97 10.93 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 120.758 0.972 . . . . 3.58 109.897 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.6 mt -77.38 152.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.232 -0.917 . . . . 3.17 109.204 179.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.99 109.276 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.598 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 2.17 111.851 -178.333 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.28 109.752 -177.861 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.89 107.955 179.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.95 109.015 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 2.08 108.133 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 2.46 108.608 179.634 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 2.1 110.297 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.97 110.779 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 2.13 110.916 -178.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.68 109.825 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.78 107.662 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.54 109.567 179.53 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.73 111.092 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.541 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.79 111.856 -178.524 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.84 110.064 -178.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.488 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.68 109.021 -178.298 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.488 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 2.19 108.161 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.534 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.47 108.664 179.619 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 2.13 110.204 -179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.46 110.423 -178.057 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.22 109.365 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.534 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.89 108.973 -178.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.82 110.813 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.9 110.562 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.97 109.533 178.721 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 1.35 109.186 179.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 1.4 109.628 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 4.21 108.768 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 4.01 110.912 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HE1' ' HZ1' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.23 109.062 -178.452 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.11 110.152 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 3.18 110.309 -179.563 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 4.48 109.532 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HZ3' " H4'" ' C' ' 24' ' ' ' DT' . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 3.03 109.329 -179.288 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.8 109.834 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.86 108.91 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 3.55 111.3 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.62 109.5 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.66 108.495 179.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.68 111.022 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.51 108.772 179.089 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.691 ' HZ1' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.61 108.631 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.76 108.506 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.86 109.168 179.462 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.678 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 5.47 110.197 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.85 111.108 -178.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' ' 79' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 2.17 108.49 -179.152 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.678 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.92 109.873 179.552 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.64 108.705 179.095 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 2.28 109.312 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 3.0 107.965 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 3.23 107.759 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.93 109.023 -178.39 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.509 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.67 110.277 -179.626 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 2.31 109.562 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 3.29 110.316 -179.038 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.556 ' HG1' ' HE ' ' A' ' 103' ' ' ARG . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.62 109.242 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.87 110.617 -179.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.99 109.18 -179.789 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 6.26 109.177 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.66 111.123 -178.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.416 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.63 110.352 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.6 109.748 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.556 ' HE ' ' HG1' ' A' ' 95' ' ' THR . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 3.34 108.091 178.271 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.21 108.902 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 2.56 109.869 -178.872 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.478 HG12 ' H ' ' A' ' 26' ' ' GLN . 14.5 tt . . . . . 0 N--CA 1.488 1.475 0 CA-C-O 121.697 0.76 . . . . 2.8 110.303 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.59 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -77.07 138.79 39.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.451 -0.781 . . . . 1.66 109.789 -179.503 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 27' ' ' LEU . 3.1 tm? -51.36 -63.69 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.494 -0.753 . . . . 1.54 111.397 -177.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.59 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 59.8 p-90 -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.413 -1.429 . . . . 1.16 109.391 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.504 ' H ' ' HG3' ' A' ' 26' ' ' GLN . 62.4 tt0 -68.97 -37.88 79.04 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 118.863 -1.135 . . . . 2.34 108.445 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.15 -49.12 73.39 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.329 -0.619 . . . . 0.86 109.329 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 31' ' ' LEU . 4.1 tt -63.43 -46.61 85.54 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.068 -1.086 . . . . 1.52 108.068 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.79 -40.17 91.63 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.003 -0.739 . . . . 1.91 109.003 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.38 -48.75 79.85 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.249 -0.981 . . . . 2.46 108.96 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.53 -30.05 66.7 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.076 -1.015 . . . . 1.54 108.945 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 10.7 tp -49.94 -46.72 52.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.704 -1.248 . . . . 1.45 110.371 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 p -81.92 56.95 3.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.783 -1.198 . . . . 1.68 107.88 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 42.6 t0 -102.52 132.11 48.79 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 121.889 0.852 . . . . 3.08 109.473 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 9.5 mmpt? -68.5 -40.28 80.93 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.46 0.648 . . . . 3.33 110.138 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -76.99 -10.77 59.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.503 -0.748 . . . . 2.66 111.047 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.544 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -51.77 -28.51 15.54 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.733 -1.187 . . . . 2.22 109.45 -179.217 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.13 -34.47 76.41 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.472 -1.392 . . . . 3.09 110.189 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.505 ' OG ' ' CD1' ' A' ' 43' ' ' PHE . 88.8 p -82.92 -15.52 51.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.7 -1.25 . . . . 2.41 111.014 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.505 ' CD1' ' OG ' ' A' ' 42' ' ' SER . 97.0 m-85 -119.12 -7.97 10.24 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.499 -0.75 . . . . 1.56 110.05 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 40' ' ' CYS . 11.2 tt -162.31 -177.31 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 1.14 109.605 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.49 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 75.0 m -113.26 115.21 27.82 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.067 -1.021 . . . . 1.71 110.956 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.491 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -117.45 98.53 6.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.113 -1.44 . . . . 1.46 107.113 178.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -68.32 142.5 55.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.585 -1.322 . . . . 2.04 110.273 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.43 50.17 1.64 Allowed Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.886 -1.286 . . . . 1.95 109.886 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -115.92 -112.16 0.34 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.41 -1.053 . . . . 3.56 108.946 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.8 -102.78 0.56 Allowed Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.855 -1.698 . . . . 1.32 108.855 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -144.22 82.18 1.7 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.047 -1.266 . . . . 1.06 109.858 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -131.91 131.44 42.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.459 -0.941 . . . . 2.5 108.459 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' HD11 ' A' ' 35' ' ' LEU . 51.2 t80 -122.16 118.52 28.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.599 -0.688 . . . . 0.82 109.755 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -110.87 135.5 51.33 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.438 -0.789 . . . . 2.34 109.835 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.2 mp -94.36 100.26 12.32 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.645 -0.66 . . . . 1.3 110.301 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 84.1 p -80.02 -63.04 1.5 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.14 -0.975 . . . . 1.6 109.561 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' OG ' ' A' ' 56' ' ' SER . 82.0 m-20 -140.07 80.28 20.65 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.124 -0.985 . . . . 2.54 110.484 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -73.93 57.63 3.91 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.229 1.286 . . . . 1.09 108.9 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.95 -41.18 71.45 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.107 -0.995 . . . . 2.89 109.625 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 43' ' ' PHE . 84.8 mt-10 -88.3 -32.22 18.58 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.977 -0.749 . . . . 3.15 108.977 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.64 -43.25 96.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.162 -0.961 . . . . 0.8 108.983 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.75 75.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.046 -1.034 . . . . 0.84 109.858 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.703 HH12 ' NZ ' ' A' ' 73' ' ' LYS . 8.3 mtt-85 -60.18 -44.9 94.68 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.404 -0.919 . . . . 3.69 108.693 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -63.82 -39.04 93.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.793 -0.817 . . . . 3.46 108.793 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.674 ' CD1' HD21 ' A' ' 79' ' ' LEU . 24.2 t-105 -58.52 -41.77 86.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.923 -1.111 . . . . 1.08 108.589 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.85 -17.88 64.63 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.446 -1.062 . . . . 1.09 110.446 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -66.42 -44.84 81.8 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.176 -1.191 . . . . 2.71 109.527 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -61.97 -22.03 65.31 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.446 -0.784 . . . . 3.88 108.958 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -91.98 6.21 47.2 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.391 -0.818 . . . . 2.56 109.486 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 56.69 59.01 3.75 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 3.49 110.597 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -132.11 145.9 59.35 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 107.522 -1.288 . . . . 2.35 107.522 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -60.04 -65.14 0.08 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 121.278 1.319 . . . . 2.96 110.127 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.703 ' NZ ' HH12 ' A' ' 63' ' ' ARG . 55.1 tttp -132.54 132.19 42.34 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.341 -0.985 . . . . 5.24 108.341 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.0 tpp -115.13 128.73 56.39 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.917 0.865 . . . . 2.41 109.86 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.778 HD22 ' H ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -67.45 143.41 56.25 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.785 0.802 . . . . 1.48 109.825 179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.529 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 68.7 t80 -66.61 -23.79 66.23 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.842 -0.799 . . . . 1.07 108.842 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -58.95 -28.08 65.94 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 107.228 -1.397 . . . . 2.53 107.228 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.532 ' HZ2' ' HE1' ' A' ' 65' ' ' TRP . 12.2 tmtt? -56.79 -39.89 74.94 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.934 -1.136 . . . . 4.23 107.934 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.674 HD21 ' CD1' ' A' ' 65' ' ' TRP . 2.9 mm? -66.38 -47.34 73.69 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 107.996 -1.113 . . . . 1.17 107.996 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.3 m -60.08 -44.06 95.04 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.251 -1.38 . . . . 1.39 108.773 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -68.23 -43.0 78.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.919 -1.113 . . . . 4.74 111.275 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.53 -47.99 4.4 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.092 -1.052 . . . . 0.8 110.987 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -60.83 -47.03 88.2 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.42 -1.047 . . . . 1.57 109.562 -178.592 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -54.0 -49.07 69.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.324 -1.485 . . . . 2.34 108.158 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.416 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 73.6 t80 -62.6 -5.61 2.79 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.144 -0.972 . . . . 1.39 109.843 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 88' ' ' ASP . 11.7 t80 -72.59 3.15 5.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.89 -1.131 . . . . 1.27 111.343 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.62 59.23 0.2 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.663 -1.273 . . . . 1.65 107.614 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' TYR . 65.0 m-20 -80.71 -47.68 13.65 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 2.74 110.532 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -126.05 -93.43 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.813 0.816 . . . . 2.52 109.671 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -160.51 92.98 0.99 Allowed 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.807 -1.183 . . . . 2.8 107.807 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.875 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -144.92 -91.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.466 -0.771 . . . . 1.28 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.875 ' H ' HG23 ' A' ' 91' ' ' ILE . 12.6 tt -93.95 120.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.389 -1.444 . . . . 1.09 110.219 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -105.3 150.08 25.48 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.481 -0.933 . . . . 1.79 108.481 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -89.54 140.08 29.89 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.754 -1.216 . . . . 2.83 109.714 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 97' ' ' GLY . 35.3 m -88.6 132.44 34.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.0 -1.063 . . . . 1.24 110.246 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.64 19.8 0.36 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.905 . . . . 2.47 109.834 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.418 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.54 -92.29 0.27 Allowed Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.909 -1.676 . . . . 2.32 108.909 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.559 ' H ' HG21 ' A' ' 101' ' ' VAL . 32.8 mmtp -103.93 -175.14 2.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.387 -1.067 . . . . 3.6 108.801 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.622 ' CG ' HH11 ' A' ' 99' ' ' ARG . 4.2 mtt-85 -85.45 -13.29 49.67 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.709 -1.245 . . . . 5.66 109.399 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -108.5 9.92 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.932 -1.105 . . . . 1.27 111.171 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.559 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.4 m -91.56 121.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.326 -1.484 . . . . 1.14 111.141 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.529 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 9.2 m-85 -114.07 148.42 37.11 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.009 -1.108 . . . . 1.23 108.009 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -151.11 157.1 42.32 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.087 -1.008 . . . . 2.9 109.573 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.676 ' CE2' HD12 ' A' ' 92' ' ' ILE . 46.3 m-85 -124.69 158.92 32.02 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.587 -0.894 . . . . 1.16 108.587 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 118.061 -0.971 . . . . 1.98 109.458 -179.498 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.455 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 2.8 108.395 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.66 108.712 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 1.54 111.297 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.16 112.011 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.34 108.256 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.86 108.747 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 1.52 110.492 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 32' ' ' LEU . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 1.91 109.621 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 1.54 109.377 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.45 110.587 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 1.68 112.057 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.564 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.33 110.149 -179.359 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.66 111.326 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.22 110.158 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.09 111.081 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.41 111.51 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.56 109.747 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.14 108.019 -178.27 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 1.71 110.058 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.04 109.705 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 1.95 109.273 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.32 107.908 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.06 109.701 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.82 108.999 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.34 110.392 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.747 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.3 108.949 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.6 109.957 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 0.8 108.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 0.84 108.887 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 3.69 108.871 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 3.46 110.563 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.443 ' CZ2' HD21 ' A' ' 27' ' ' LEU . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.08 110.981 -178.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.09 110.866 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 2.71 108.15 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 3.88 109.578 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 2.56 108.904 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.49 110.353 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.35 108.785 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 2.96 109.728 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.24 109.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.41 109.491 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.48 110.612 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.07 108.55 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.23 108.965 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.17 108.572 178.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.39 109.117 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 4.74 110.627 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.8 111.163 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 1.57 109.557 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.34 108.845 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.39 109.962 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 1.65 107.49 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 2.52 109.052 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 2.8 109.113 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.83 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.28 111.335 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.83 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.09 109.372 -178.466 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.555 ' N ' HD13 ' A' ' 92' ' ' ILE . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 1.79 109.951 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 2.83 109.913 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.24 108.762 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.47 110.938 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 95' ' ' THR . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.678 ' H ' HG21 ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.6 108.855 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 5.66 110.903 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.27 111.004 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.678 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.14 111.704 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CD1' HD23 ' A' ' 55' ' ' LEU . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.23 108.629 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 2.9 109.782 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 35' ' ' LEU . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.16 109.809 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 1.98 109.771 -178.687 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.204 -0.665 . . . . 2.8 109.204 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.66 109.276 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 1.54 111.851 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.16 109.752 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.34 107.955 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.86 109.015 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 1.52 108.133 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 1.91 108.608 179.634 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 1.54 110.297 -179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.45 110.779 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 1.68 110.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.33 109.825 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.66 107.662 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.22 109.567 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.09 111.092 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.408 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.41 111.856 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.56 110.064 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.51 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.14 109.021 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.51 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 1.71 108.161 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.562 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.04 108.664 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 1.95 110.204 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.32 110.423 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.06 109.365 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.562 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.82 108.973 -178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.34 110.813 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.3 110.562 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.6 109.533 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 57' ' ' ASP . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 0.8 109.186 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 0.84 109.628 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 3.69 108.768 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 3.46 110.912 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.435 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.08 109.062 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.09 110.152 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 2.71 110.309 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 3.88 109.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 2.56 109.329 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.49 109.834 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.35 108.91 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 2.96 111.3 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.24 109.5 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.41 108.495 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.48 111.022 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.07 108.772 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.23 108.631 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.17 108.506 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.39 109.168 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.699 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 4.74 110.197 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.8 111.108 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 1.57 108.49 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.699 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.34 109.873 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.39 108.705 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 1.65 109.312 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 2.52 107.965 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 2.8 107.759 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.591 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.28 109.023 -178.39 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.683 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.09 110.277 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 1.79 109.562 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 2.83 110.316 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.24 109.242 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.47 110.617 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.6 109.18 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 5.66 109.177 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.27 111.123 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.461 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.14 110.352 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.23 109.748 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.9 108.091 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.683 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.16 108.902 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 1.98 109.869 -178.872 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 121.253 0.549 . . . . 2.8 109.568 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.554 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 5.9 tm0? -88.51 149.91 23.38 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.594 -1.262 . . . . 1.66 107.594 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.3 tt -58.97 -56.06 27.07 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 1.54 111.949 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.605 ' N ' HD23 ' A' ' 27' ' ' LEU . 58.6 p-90 -73.22 -35.75 66.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.251 -1.53 . . . . 1.16 111.272 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -53.81 -44.0 69.81 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 119.988 -1.695 . . . . 2.34 107.762 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.08 -42.67 98.94 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.837 -0.801 . . . . 0.86 108.837 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -61.15 -50.24 73.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.117 -0.989 . . . . 1.52 109.386 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD21 ' CD2' ' A' ' 104' ' ' PHE . 3.6 mm? -60.55 -43.93 96.69 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.981 -1.074 . . . . 1.91 110.093 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -60.84 -49.36 77.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.758 -1.214 . . . . 2.46 108.44 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.7 -39.72 91.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.288 -0.882 . . . . 1.54 109.913 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 9.2 tt -57.46 -39.61 76.69 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.216 -0.927 . . . . 1.45 109.444 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -113.44 70.44 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.508 -0.745 . . . . 1.68 109.791 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 37' ' ' ASP . 23.2 p-10 -115.31 -135.46 0.35 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.561 -0.712 . . . . 3.08 109.712 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -59.55 -143.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.935 -1.103 . . . . 3.33 111.042 -178.596 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 41' ' ' GLN . 23.0 t -63.43 -39.51 94.68 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.145 -0.972 . . . . 2.66 110.057 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 38' ' ' LYS . 1.8 m 70.43 -19.05 0.22 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.011 -1.056 . . . . 2.22 109.293 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.551 ' H ' ' C ' ' A' ' 39' ' ' SER . 38.6 mm-40 -63.48 -33.04 74.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.47 -0.769 . . . . 3.09 111.044 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.9 m -79.22 -19.31 51.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.95 -1.094 . . . . 2.41 111.257 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.14 -12.92 8.62 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.022 -1.049 . . . . 1.56 110.514 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.521 ' CG1' ' H ' ' A' ' 45' ' ' SER . 9.1 tt -163.2 -175.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.033 -1.042 . . . . 1.14 109.368 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.521 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 12.0 t -120.19 124.11 44.91 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.71 -1.244 . . . . 1.71 110.701 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.73 106.16 13.55 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.631 -1.618 . . . . 1.46 106.631 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.0 p -66.98 156.84 34.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.902 -1.124 . . . . 2.04 110.193 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.38 60.77 1.54 Allowed Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.373 -1.491 . . . . 1.95 109.373 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.547 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 31.5 t70 -122.43 -153.48 0.55 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.215 -1.032 . . . . 3.56 108.215 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.547 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -77.98 -61.89 2.45 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 108.623 -1.791 . . . . 1.32 108.623 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -150.66 69.99 1.0 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -1.189 . . . . 1.06 108.18 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -119.42 98.94 6.38 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.456 -1.313 . . . . 2.5 107.456 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' TYR . 58.4 t80 -109.77 133.06 53.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.321 -0.862 . . . . 0.82 110.669 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -133.94 142.05 47.55 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 122.332 1.063 . . . . 2.34 109.989 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.1 mp -90.58 100.26 13.14 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.886 -0.597 . . . . 1.3 110.564 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 31.0 t -79.47 -62.56 1.65 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.955 . . . . 1.6 110.492 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 56' ' ' SER . 87.7 m-20 -137.66 77.67 38.87 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 121.226 -0.921 . . . . 2.54 111.399 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.51 58.31 4.49 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 N-CA-C 109.206 -1.113 . . . . 1.09 109.206 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.92 -41.58 61.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.886 -1.134 . . . . 2.89 109.708 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -80.06 -34.21 38.37 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.5 -0.926 . . . . 3.15 108.5 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.63 -42.95 87.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.485 -0.759 . . . . 0.8 109.991 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.32 91.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.956 -1.09 . . . . 0.84 109.082 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.416 HH11 ' HG3' ' A' ' 63' ' ' ARG . 9.1 ttm-85 -61.2 -47.08 87.78 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.609 -0.886 . . . . 3.69 108.609 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -66.87 -41.43 87.27 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.27 -0.894 . . . . 3.46 110.664 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.576 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 10.8 t-105 -62.17 -46.2 90.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.122 -0.986 . . . . 1.08 110.013 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.79 -49.7 47.15 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 120.102 -1.047 . . . . 1.09 110.748 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -66.69 -7.35 20.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.944 -1.327 . . . . 2.71 110.117 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -58.11 -38.89 77.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.886 -1.133 . . . . 3.88 109.337 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -102.94 30.51 4.74 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.406 -0.809 . . . . 2.56 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 55.98 57.3 5.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.199 -0.938 . . . . 3.49 110.018 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 72' ' ' PRO . 61.0 mttm -129.16 154.13 80.47 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.415 -0.803 . . . . 2.35 109.728 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 71' ' ' LYS . 3.0 Cg_exo -52.84 -159.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 121.61 1.54 . . . . 2.96 110.566 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -88.41 123.6 33.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.887 -1.133 . . . . 5.24 109.829 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 19.6 mmt -111.58 137.36 49.53 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.432 -0.793 . . . . 2.41 109.85 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.51 173.0 7.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.601 -0.687 . . . . 1.48 110.015 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.516 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 62.4 t80 -69.83 -15.74 63.15 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.35 -0.844 . . . . 1.07 109.882 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -56.53 -32.87 65.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -0.915 . . . . 2.53 108.638 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.576 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 11.6 tmtt? -55.98 -42.69 76.7 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.562 -0.711 . . . . 4.23 109.552 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 76' ' ' TYR . 6.9 mt -68.0 -41.35 82.4 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.451 -0.781 . . . . 1.17 109.933 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.5 p -60.85 -46.71 89.5 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.689 -1.257 . . . . 1.39 109.34 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -77.68 -42.31 35.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.326 -0.859 . . . . 4.74 109.756 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.4 -48.71 22.98 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 120.18 -1.009 . . . . 0.8 111.593 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.62 -30.78 70.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.66 -1.494 . . . . 1.57 110.7 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -53.16 -37.06 61.53 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.878 -1.139 . . . . 2.34 109.434 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 36.6 t80 -73.47 -14.79 61.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.047 -1.033 . . . . 1.39 109.723 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.495 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 4.5 t80 -70.98 6.94 1.32 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.104 -0.998 . . . . 1.27 111.625 -177.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.521 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 8.8 m-85 -77.14 15.8 0.66 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.681 -1.262 . . . . 1.65 109.639 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -73.06 -36.66 66.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.84 -1.163 . . . . 2.74 108.865 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -109.24 136.52 48.57 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.825 -1.176 . . . . 2.52 107.825 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -78.04 91.41 4.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.701 -1.249 . . . . 2.8 109.123 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -136.19 -46.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 115.766 -0.652 . . . . 1.28 109.344 -179.191 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.595 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 4.6 tt -137.26 136.16 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.159 -0.963 . . . . 1.09 110.004 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -134.13 149.43 51.07 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.959 -0.756 . . . . 1.79 108.959 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.521 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 67.0 mttm -81.27 144.82 31.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.135 -0.978 . . . . 2.83 110.635 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 97' ' ' GLY . 94.1 m -91.47 127.95 37.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.648 -0.658 . . . . 1.24 109.648 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.96 26.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.355 -0.841 . . . . 2.47 110.362 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 95' ' ' THR . . . -80.52 -69.02 1.42 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.092 -1.203 . . . . 2.32 110.092 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.531 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.3 tptm -113.32 -133.79 0.34 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.291 -1.003 . . . . 3.6 108.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.43 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 88.2 mtm180 -121.1 -32.92 3.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.297 -0.877 . . . . 5.66 109.588 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -107.13 26.41 10.19 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.319 -0.863 . . . . 1.27 109.805 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.531 HG21 ' H ' ' A' ' 98' ' ' LYS . 4.6 m -91.21 124.01 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 120.735 -1.228 . . . . 1.14 109.906 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.516 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 14.6 m-85 -118.15 145.41 44.93 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.756 -0.831 . . . . 1.23 108.756 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -146.92 159.31 43.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 2.9 109.387 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 23.0 m-85 -130.01 162.92 27.62 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.581 0.705 . . . . 1.16 109.851 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.934 -1.031 . . . . 1.98 109.838 -179.396 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.454 HD12 ' HB2' ' A' ' 30' ' ' PHE . 21.3 pt . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.463 0.649 . . . . 2.8 109.686 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.576 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 4.8 tm0? -83.12 153.15 24.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.381 -0.825 . . . . 1.66 109.026 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.4 tm? -60.51 -58.34 8.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 1.54 110.821 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.538 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 50.9 p-90 -75.16 -38.09 61.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.015 -1.053 . . . . 1.16 112.021 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 18.8 tt0 -51.63 -40.13 59.35 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.323 -1.486 . . . . 2.34 107.505 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' HD12 ' A' ' 25' ' ' ILE . 80.4 t80 -62.25 -46.58 88.18 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.79 -0.764 . . . . 0.86 109.729 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.56 -39.59 88.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 1.52 108.346 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.23 -49.77 76.29 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.84 -1.163 . . . . 1.91 110.789 -178.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.94 -36.32 79.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.296 -1.503 . . . . 2.46 109.286 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -40.69 76.3 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.19 -1.041 . . . . 1.54 108.19 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.6 tp -51.16 -49.78 60.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.193 -0.942 . . . . 1.45 111.304 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.2 p -87.74 56.58 3.96 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.539 -1.35 . . . . 1.68 111.174 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -112.49 130.25 56.06 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.305 -0.998 . . . . 3.08 108.305 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -28.35 68.58 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.317 -0.864 . . . . 3.33 110.636 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.41 -7.03 47.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 2.66 109.628 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.604 ' O ' HG22 ' A' ' 44' ' ' ILE . 62.8 m -58.33 -47.31 84.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.919 -1.113 . . . . 2.22 110.72 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.49 -23.63 10.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.536 -1.353 . . . . 3.09 110.267 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 t -73.29 -43.46 60.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.953 -1.092 . . . . 2.41 111.935 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.72 15.08 15.43 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 120.792 -1.193 . . . . 1.56 111.504 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 40' ' ' CYS . 15.0 tt -164.46 -174.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.764 -1.21 . . . . 1.14 109.269 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.513 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 47.2 t -127.86 129.18 46.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.27 1.033 . . . . 1.71 110.846 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.428 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -114.43 112.07 22.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 106.981 -1.488 . . . . 1.46 106.981 179.171 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' TRP . 65.8 p -58.11 -158.84 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.007 -1.058 . . . . 2.04 110.629 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -60.46 -135.27 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.264 -0.898 . . . . 1.95 111.047 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -106.12 13.7 28.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -1.014 . . . . 3.56 110.408 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.61 -114.78 0.39 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.497 -1.841 . . . . 1.32 108.497 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -155.34 35.44 0.37 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.059 -1.259 . . . . 1.06 109.025 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -98.29 96.72 8.25 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.473 -1.306 . . . . 2.5 107.473 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 102' ' ' TYR . 49.1 t80 -108.65 129.57 55.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.702 -0.624 . . . . 0.82 109.813 -177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 138.35 53.64 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 121.817 0.818 . . . . 2.34 110.188 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 55' ' ' LEU . 9.4 mp -90.13 97.05 10.96 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 116.025 -0.534 . . . . 1.3 109.734 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -80.7 -54.1 5.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 1.6 110.18 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.6 m-20 -134.11 77.43 61.51 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.295 -0.878 . . . . 2.54 110.412 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -72.17 38.54 0.37 Allowed 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.16 1.24 . . . . 1.09 109.235 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 57' ' ' ASP . 94.6 m-20 -68.02 -42.98 79.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.012 -1.055 . . . . 2.89 110.543 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -80.41 -35.22 35.46 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.151 -0.968 . . . . 3.15 109.001 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.5 t -67.09 -40.3 85.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.739 -0.601 . . . . 0.8 110.121 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.56 97.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.84 109.526 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -61.23 -41.84 97.56 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.211 -0.996 . . . . 3.69 108.521 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -68.46 -39.96 81.23 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.112 -0.992 . . . . 3.46 109.73 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -62.24 -37.55 85.86 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.303 -0.999 . . . . 1.08 108.303 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.28 -32.53 80.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.161 -1.576 . . . . 1.09 109.161 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.75 -22.21 64.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.324 -1.104 . . . . 2.71 110.023 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -57.78 -43.69 85.73 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.355 -0.84 . . . . 3.88 109.535 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -98.55 23.49 8.52 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.685 -0.634 . . . . 2.56 109.675 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 56.91 50.33 12.46 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.566 -0.709 . . . . 3.49 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -120.42 149.47 49.91 Favored Pre-proline 0 N--CA 1.504 2.25 0 N-CA-C 108.456 -0.942 . . . . 2.35 108.456 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.4 -83.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.726 0 N-CA-C 109.125 -1.144 . . . . 2.96 109.125 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -136.02 140.21 43.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.403 -0.81 . . . . 5.24 109.139 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -130.87 151.94 50.74 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.912 -0.773 . . . . 2.41 108.912 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -70.03 162.4 28.23 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.339 -0.851 . . . . 1.48 111.187 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.575 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 88.3 t80 -76.37 -16.58 59.7 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.915 -1.143 . . . . 1.07 107.915 178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' O ' ' OG ' ' A' ' 80' ' ' SER . 41.8 tp10 -58.21 -30.1 66.22 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.752 -0.833 . . . . 2.53 108.752 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 51.8 pttt -59.89 -36.05 76.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 4.23 109.538 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.0 mt -67.57 -36.72 81.46 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.991 -0.684 . . . . 1.17 109.323 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 77' ' ' GLU . 71.6 p -61.21 -36.91 81.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.104 -0.998 . . . . 1.39 109.835 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.541 ' O ' ' NH1' ' A' ' 84' ' ' ARG . 19.4 mmt180 -83.12 -31.14 27.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.957 -1.089 . . . . 4.74 109.689 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.9 -40.92 6.91 Favored Glycine 0 N--CA 1.495 2.633 0 O-C-N 120.85 -1.156 . . . . 0.8 110.881 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.63 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -69.93 -42.81 72.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.822 -1.399 . . . . 1.57 110.902 -178.442 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.608 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -59.97 -36.98 78.3 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.002 -1.686 . . . . 2.34 109.42 -178.715 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -69.82 -11.98 61.28 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.363 -0.836 . . . . 1.39 109.376 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.498 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.9 t80 -75.6 1.13 15.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.849 . . . . 1.27 110.186 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.524 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.7 m-85 -67.22 3.8 1.11 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.961 -1.087 . . . . 1.65 109.122 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 86' ' ' TYR . 79.8 m-20 -68.36 -33.0 73.49 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.99 -1.069 . . . . 2.74 108.368 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -116.61 134.05 55.29 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.071 -1.085 . . . . 2.52 108.071 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 31.5 p-10 -80.23 88.9 5.46 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.053 -1.03 . . . . 2.8 109.102 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.5 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -136.63 -48.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.124 -1.436 . . . . 1.28 107.124 179.509 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.499 HD12 ' CE2' ' A' ' 104' ' ' PHE . 10.4 tt -133.49 128.07 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 1.09 109.489 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -122.77 137.69 54.85 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.717 0.77 . . . . 1.79 109.039 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 3.5 ttmp? -74.97 140.09 43.41 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.602 -0.888 . . . . 2.83 108.602 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.9 m -88.85 131.67 34.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 1.24 109.636 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.11 33.13 0.49 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.046 -1.034 . . . . 2.47 109.323 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.6 -72.49 1.24 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.679 -1.769 . . . . 2.32 108.679 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -111.62 -119.81 0.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.623 -0.928 . . . . 3.6 108.94 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.535 ' CG ' HH11 ' A' ' 99' ' ' ARG . 0.5 OUTLIER -131.95 -39.52 1.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.266 -0.896 . . . . 5.66 110.688 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -102.65 26.76 7.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.232 -0.918 . . . . 1.27 110.05 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 101' ' ' VAL . 6.0 m -90.39 120.53 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 CA-C-O 122.231 1.015 . . . . 1.14 110.679 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.575 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 5.4 m-85 -113.56 135.29 54.06 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.393 -0.966 . . . . 1.23 108.393 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -146.78 158.92 44.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.129 -0.982 . . . . 2.9 108.523 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.499 ' CE2' HD12 ' A' ' 92' ' ' ILE . 48.6 m-85 -118.73 155.03 31.81 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.339 0.59 . . . . 1.16 109.909 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.948 -1.025 . . . . 1.98 109.101 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 11.6 tt . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 107.855 -1.165 . . . . 2.8 107.855 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.564 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -76.59 140.28 40.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.554 -1.341 . . . . 1.66 108.31 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.3 tt -62.46 -53.62 52.21 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.418 0.896 . . . . 1.54 113.418 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.5 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.7 p-90 -76.54 -34.11 58.53 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.557 -1.34 . . . . 1.16 111.605 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -59.98 -39.23 84.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 2.34 108.266 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -73.19 -50.61 21.55 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.8 . . . . 0.86 109.185 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.07 -42.66 95.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.06 -1.025 . . . . 1.52 109.478 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.07 -43.63 98.43 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.077 -1.015 . . . . 1.91 109.413 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.16 -44.35 95.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.161 -0.962 . . . . 2.46 109.457 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.68 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.6 tm? -69.31 -42.91 74.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.252 -0.905 . . . . 1.54 110.017 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 53' ' ' PHE . 8.6 tt -61.21 -33.69 73.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.328 -0.857 . . . . 1.45 110.626 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.0 p -103.33 8.98 38.17 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.868 -1.145 . . . . 1.68 111.939 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -107.61 -73.09 0.7 Allowed 'General case' 0 N--CA 1.508 2.472 0 O-C-N 120.799 -1.188 . . . . 3.08 111.241 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.78 159.73 1.57 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.108 -0.995 . . . . 3.33 109.512 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.536 ' OG ' ' N ' ' A' ' 40' ' ' CYS . 19.2 t -67.25 -132.15 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.076 -1.083 . . . . 2.66 108.076 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.536 ' N ' ' OG ' ' A' ' 39' ' ' SER . 24.5 p -171.42 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.933 -1.105 . . . . 2.22 110.181 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -71.68 63.56 0.43 Allowed 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.33 -0.856 . . . . 3.09 109.613 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' CYS . 45.4 t -163.16 -49.8 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.933 -0.765 . . . . 2.41 108.933 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -126.84 -0.11 6.66 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 1.56 110.321 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.5 ' CG1' ' H ' ' A' ' 45' ' ' SER . 10.3 tt -162.58 -176.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.643 -1.286 . . . . 1.14 110.167 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.5 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 78.6 p -130.98 126.66 36.59 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.771 -1.205 . . . . 1.71 110.553 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.52 110.39 19.18 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.339 -1.356 . . . . 1.46 107.339 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -62.66 152.02 36.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.693 -1.254 . . . . 2.04 109.693 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.04 30.4 9.4 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.988 -1.245 . . . . 1.95 109.988 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -108.01 -108.38 0.32 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.251 -1.147 . . . . 3.56 109.434 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.27 -104.46 0.43 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.92 -1.672 . . . . 1.32 108.92 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -139.2 58.03 1.64 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.464 -1.021 . . . . 1.06 108.854 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -100.55 121.27 41.3 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.261 -1.014 . . . . 2.5 108.261 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.469 ' CD2' HD11 ' A' ' 35' ' ' LEU . 54.0 t80 -118.27 125.65 50.53 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.588 -0.695 . . . . 0.82 110.497 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' C ' HD12 ' A' ' 55' ' ' LEU . 8.9 mtmp? -116.85 137.72 52.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.463 -0.773 . . . . 2.34 111.049 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.3 mp -97.58 103.2 15.12 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.586 -0.696 . . . . 1.3 110.061 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -78.76 -66.06 0.91 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 1.6 109.836 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -144.22 81.65 11.32 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.552 -0.718 . . . . 2.54 109.798 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.96 55.04 5.13 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 121.371 1.38 . . . . 1.09 109.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.74 -39.37 70.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.194 . . . . 2.89 110.0 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.62 -40.39 61.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.834 -1.166 . . . . 3.15 109.054 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -63.98 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.637 -0.664 . . . . 0.8 110.099 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.86 95.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.967 -1.083 . . . . 0.84 109.554 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.15 -43.94 95.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.969 -1.082 . . . . 3.69 109.514 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 9.1 mpt_? -66.76 -39.69 87.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.109 -0.995 . . . . 3.46 109.613 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -59.31 -42.32 91.1 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.274 -0.891 . . . . 1.08 110.149 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.35 -23.17 77.62 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.695 -1.241 . . . . 1.09 110.113 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -66.31 -44.05 84.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -1.199 . . . . 2.71 110.086 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' CA ' ' HE ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.48 -15.73 58.61 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.141 -0.975 . . . . 3.88 110.037 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -92.75 9.08 36.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.202 -0.936 . . . . 2.56 109.11 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 58.74 35.91 24.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 3.49 109.296 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' PRO . 32.2 mtmm -143.67 155.04 60.12 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.495 -0.753 . . . . 2.35 109.272 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.4 Cg_exo -53.28 -157.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.899 0 C-N-CA 121.811 1.674 . . . . 2.96 110.649 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -87.69 140.88 29.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 5.24 109.378 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.6 mtp -122.89 160.86 25.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.794 -0.817 . . . . 2.41 108.794 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.445 ' CG ' ' HZ3' ' A' ' 78' ' ' LYS . 46.9 p30 -64.9 163.96 13.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.909 -1.119 . . . . 1.48 110.074 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.582 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 53.3 t80 -67.06 -12.56 60.27 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.668 -0.645 . . . . 1.07 110.154 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' OE1' ' ND2' ' A' ' 75' ' ' ASN . 94.8 mt-10 -59.26 -36.94 76.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.188 -0.945 . . . . 2.53 110.309 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HZ3' ' CG ' ' A' ' 75' ' ' ASN . 12.6 mptt -57.52 -36.0 70.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.839 -1.163 . . . . 4.23 109.038 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.39 -41.97 79.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.928 . . . . 1.17 109.374 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -69.31 -35.09 75.62 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.99 -1.069 . . . . 1.39 108.594 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -78.04 -43.07 30.38 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.499 -0.75 . . . . 4.74 111.467 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.32 -42.64 8.46 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.761 -1.212 . . . . 0.8 111.156 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.761 ' O ' HD23 ' A' ' 83' ' ' LEU . 4.8 tt -66.75 -41.36 87.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.038 -1.272 . . . . 1.57 110.495 -178.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -53.74 -33.91 57.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.476 -1.39 . . . . 2.34 109.505 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -77.03 -7.42 55.63 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 1.39 109.757 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.495 ' CE2' HD22 ' A' ' 27' ' ' LEU . 3.1 t80 -72.99 6.35 2.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 1.27 110.161 -177.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.9 m-85 -69.75 8.91 0.59 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.896 -1.127 . . . . 1.65 109.407 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 86' ' ' TYR . 76.7 m-20 -70.36 -39.98 74.3 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.725 -1.213 . . . . 2.74 107.725 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -110.14 133.18 53.48 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.056 -1.09 . . . . 2.52 108.056 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -78.02 89.9 4.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.933 -1.104 . . . . 2.8 108.828 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -138.27 -44.9 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.719 -0.845 . . . . 1.28 108.719 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 83' ' ' LEU . 5.8 tt -137.41 137.24 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.238 -0.914 . . . . 1.09 109.497 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 14.7 m-70 -131.93 163.94 27.24 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 109.071 -0.715 . . . . 1.79 109.071 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -100.04 139.56 35.54 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.16 -0.963 . . . . 2.83 109.14 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -89.81 132.0 35.47 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.83 -1.169 . . . . 1.24 109.345 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.37 32.61 0.45 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.242 -0.911 . . . . 2.47 109.328 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.07 -76.26 0.96 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.92 -1.672 . . . . 2.32 108.92 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -110.27 -117.87 0.29 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.635 -0.921 . . . . 3.6 108.528 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -134.26 -31.41 1.11 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.02 -1.05 . . . . 5.66 110.176 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -104.67 24.4 11.82 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.223 -0.923 . . . . 1.27 109.398 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.99 124.05 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.939 -1.101 . . . . 1.14 110.459 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 12.3 m-85 -120.24 149.18 42.68 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 108.586 -0.894 . . . . 1.23 108.586 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -151.24 158.71 44.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.038 -1.039 . . . . 2.9 109.993 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' A' ' 92' ' ' ILE . 19.1 m-85 -129.23 158.23 39.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.528 -0.732 . . . . 1.16 109.925 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.498 1.969 0 CA-C-O 117.956 -1.021 . . . . 1.98 109.393 -179.635 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.585 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 6.6 tt . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 108.015 -1.106 . . . . 2.8 108.015 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.585 ' H ' ' CG1' ' A' ' 25' ' ' ILE . 4.4 tm0? -79.05 157.35 28.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.637 -1.289 . . . . 1.66 109.054 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.57 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -70.15 -66.08 0.64 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.136 -0.978 . . . . 1.54 111.432 -178.351 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 53.6 p-90 -68.46 -29.85 68.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.769 -1.207 . . . . 1.16 111.878 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.221 -1.549 . . . . 2.34 107.417 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CZ ' ' NH1' ' A' ' 64' ' ' ARG . 31.9 t80 -69.3 -54.52 14.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.583 0.706 . . . . 0.86 109.843 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.17 -43.41 95.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 1.52 109.301 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.83 -43.43 93.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 1.91 109.644 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -61.62 -42.68 99.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.105 -0.997 . . . . 2.46 109.185 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.97 -40.16 83.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.398 -0.814 . . . . 1.54 109.308 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.457 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 5.6 mp -59.72 -43.78 94.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.966 -1.084 . . . . 1.45 108.578 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -94.56 63.28 2.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.316 -0.865 . . . . 1.68 109.701 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 55.4 t0 -131.94 -135.62 0.19 Allowed 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.409 -0.96 . . . . 3.08 108.409 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.522 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -62.47 -165.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.255 -0.903 . . . . 3.33 108.778 179.635 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.601 ' C ' ' H ' ' A' ' 41' ' ' GLN . 71.0 m -67.7 -44.75 76.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.677 -1.264 . . . . 2.66 110.957 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 44' ' ' ILE . 24.2 t 58.34 -1.34 0.1 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.203 -0.936 . . . . 2.22 108.898 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.601 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.9 tt0 -60.09 -37.78 80.96 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.511 -0.743 . . . . 3.09 110.641 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -78.39 -12.95 60.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 2.41 110.046 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -110.06 -11.39 14.63 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.402 -0.811 . . . . 1.56 109.863 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.62 HD11 ' HG ' ' A' ' 55' ' ' LEU . 8.3 tt -162.3 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.051 -1.031 . . . . 1.14 108.819 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.428 ' H ' HG12 ' A' ' 44' ' ' ILE . 8.9 p -115.67 103.67 10.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.197 -0.939 . . . . 1.71 110.227 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -102.92 109.77 21.45 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.288 -1.745 . . . . 1.46 106.288 178.144 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -67.75 150.95 48.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.867 -1.146 . . . . 2.04 109.61 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.2 39.4 2.88 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.149 -1.58 . . . . 1.95 109.149 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -109.62 -114.32 0.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.373 -0.973 . . . . 3.56 108.373 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.47 -98.28 0.64 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.319 -1.512 . . . . 1.32 109.319 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.424 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 66.3 t-105 -139.76 57.85 1.62 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.375 -1.074 . . . . 1.06 108.773 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -104.01 113.21 26.58 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.611 -0.885 . . . . 2.5 108.611 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 52.7 t80 -107.42 124.96 50.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.706 -0.621 . . . . 0.82 109.401 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -119.63 130.54 55.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.64 -0.662 . . . . 2.34 109.564 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 44' ' ' ILE . 8.8 mp -88.73 94.85 10.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 1.3 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 m -78.06 -58.89 3.02 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.408 -0.808 . . . . 1.6 111.368 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -140.14 78.27 23.97 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.161 -0.962 . . . . 2.54 110.901 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -75.05 57.18 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 N-CA-C 108.513 -1.38 . . . . 1.09 108.513 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.64 -49.47 53.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.005 -1.06 . . . . 2.89 109.772 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.41 -34.68 54.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 3.15 108.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.29 -46.48 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.406 0.622 . . . . 0.8 109.593 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -52.54 64.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.411 -0.806 . . . . 0.84 109.573 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.497 HH11 ' HG2' ' A' ' 63' ' ' ARG . 44.2 mtt-85 -66.07 -42.54 89.26 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.66 -0.65 . . . . 3.69 110.873 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' NH1' ' CZ ' ' A' ' 30' ' ' PHE . 6.2 tmm_? -62.91 -42.34 99.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.023 -1.048 . . . . 3.46 110.304 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.429 ' HZ2' HD21 ' A' ' 27' ' ' LEU . 14.8 t-105 -50.53 -45.41 56.78 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.256 -0.902 . . . . 1.08 109.52 -178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.94 -18.6 57.71 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.34 -0.933 . . . . 1.09 111.146 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.24 -44.28 95.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.797 -1.413 . . . . 2.71 108.962 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -62.92 -21.37 65.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.149 -0.969 . . . . 3.88 108.386 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -101.05 12.09 38.32 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.489 -0.757 . . . . 2.56 109.931 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 57.16 53.92 7.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.612 -0.884 . . . . 3.49 108.612 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.26 83.13 22.39 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.324 -0.86 . . . . 2.35 109.09 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -55.0 -20.34 22.89 Favored 'Trans proline' 0 C--N 1.321 -0.906 0 C-N-CA 121.477 1.451 . . . . 2.96 110.084 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -102.86 118.35 36.64 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.326 -0.99 . . . . 5.24 108.326 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.5 mmt -129.53 85.77 2.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 2.41 110.053 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.574 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 22.8 t-20 -67.17 143.1 56.77 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.465 -0.939 . . . . 1.48 108.465 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.521 ' OH ' HD22 ' A' ' 55' ' ' LEU . 34.7 t80 -65.58 -29.68 70.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.983 -1.073 . . . . 1.07 109.389 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.574 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 51.1 tt0 -59.58 -35.16 73.74 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.12 -1.067 . . . . 2.53 108.12 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -54.91 -40.19 69.57 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 119.488 -0.885 . . . . 4.23 109.405 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.44 -38.3 77.77 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.207 -0.933 . . . . 1.17 108.646 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 80.8 p -63.59 -37.76 88.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.846 -1.159 . . . . 1.39 108.237 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.442 HH21 ' CD ' ' A' ' 77' ' ' GLU . 92.0 mtt180 -67.54 -40.32 85.01 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.115 -1.068 . . . . 4.74 108.115 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.14 -52.04 20.15 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.809 -1.716 . . . . 0.8 108.809 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 102' ' ' TYR . 2.9 mt -67.2 -32.25 73.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -1.125 . . . . 1.57 109.624 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.603 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -48.2 -49.62 32.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.99 . . . . 2.34 108.929 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -79.99 -23.47 41.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.567 -0.708 . . . . 1.39 111.2 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -74.53 68.1 1.57 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 1.27 110.42 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.468 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 17.5 m-85 -136.06 12.77 3.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.29 -1.004 . . . . 1.65 108.29 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.73 -32.48 65.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.384 -0.823 . . . . 2.74 109.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 91' ' ' ILE . 57.8 mtpt -106.63 141.72 37.44 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.641 -0.874 . . . . 2.52 108.641 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 90' ' ' ASN . 17.6 p-10 -76.12 89.27 3.04 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.952 -1.129 . . . . 2.8 107.952 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.994 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -132.86 -85.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 115.852 -0.613 . . . . 1.28 110.27 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.994 ' H ' HG23 ' A' ' 91' ' ' ILE . 10.4 tt -107.03 135.57 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.291 -0.881 . . . . 1.09 110.063 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -130.26 156.99 43.73 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.486 -0.931 . . . . 1.79 108.486 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.468 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 40.8 mttp -82.94 140.03 33.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.273 -0.892 . . . . 2.83 109.725 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.1 m -94.87 131.31 40.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.341 -0.849 . . . . 1.24 109.106 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.43 28.3 0.15 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.077 -1.014 . . . . 2.47 110.1 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -76.9 -80.96 0.61 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.917 -1.273 . . . . 2.32 109.917 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.431 ' H ' HG21 ' A' ' 101' ' ' VAL . 21.4 tptp -106.13 -115.44 0.25 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.291 -1.123 . . . . 3.6 108.576 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -131.32 -39.65 1.15 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.303 -0.873 . . . . 5.66 109.437 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.79 29.43 5.81 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.571 -0.706 . . . . 1.27 109.755 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.431 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.4 m -91.2 128.17 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -0.949 . . . . 1.14 110.232 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.456 ' CE1' HD13 ' A' ' 83' ' ' LEU . 14.8 m-85 -129.23 151.61 49.71 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.323 -0.861 . . . . 1.23 109.723 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -148.82 162.33 40.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 2.9 109.021 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 16.7 m-85 -130.05 159.83 35.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.435 -0.791 . . . . 1.16 109.115 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 117.934 -1.031 . . . . 1.98 109.823 -179.254 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 26' ' ' GLN . 33.4 mt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 109.128 -0.693 . . . . 2.8 109.128 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.589 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.1 tm0? -86.36 144.76 27.18 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.052 -1.462 . . . . 1.66 107.052 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.7 tt -56.6 -51.49 68.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.002 -1.062 . . . . 1.54 112.154 -177.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.546 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.8 p-90 -77.01 -35.36 57.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.591 -1.318 . . . . 1.16 111.218 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -58.24 -40.16 80.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.229 -1.545 . . . . 2.34 106.987 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.42 -52.43 32.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.771 -0.581 . . . . 0.86 110.54 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.5 tp -64.46 -41.01 96.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.158 -0.964 . . . . 1.52 109.866 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.43 -40.42 95.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.892 -1.13 . . . . 1.91 109.365 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -58.32 -47.45 83.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.634 -1.291 . . . . 2.46 108.805 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.8 tp -68.21 -30.3 69.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 1.54 109.504 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.553 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 12.2 tp -50.7 -44.01 57.93 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.551 -0.718 . . . . 1.45 110.048 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.07 76.22 1.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.881 -1.137 . . . . 1.68 111.29 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -124.79 -63.56 1.16 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.019 -0.734 . . . . 3.08 109.019 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' NZ ' ' CD2' ' A' ' 43' ' ' PHE . 41.6 pttt -103.51 -160.54 0.78 Allowed 'General case' 0 N--CA 1.508 2.446 0 O-C-N 121.276 -0.89 . . . . 3.33 110.874 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -69.03 -38.66 79.29 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.337 -0.852 . . . . 2.66 109.466 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.7 m 54.5 27.41 8.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.528 -0.733 . . . . 2.22 109.786 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -96.89 -44.36 7.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.379 -0.825 . . . . 3.09 109.972 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.463 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p -78.48 -15.18 58.89 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.261 -0.899 . . . . 2.41 110.913 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 87.9 m-85 -111.46 -15.1 13.61 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.197 -0.939 . . . . 1.56 110.186 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG1' ' H ' ' A' ' 45' ' ' SER . 13.9 tt -168.5 -176.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 108.079 -1.082 . . . . 1.14 108.079 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.424 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 34.0 m -122.88 123.91 42.04 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.94 -1.1 . . . . 1.71 110.564 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.553 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -112.45 109.73 19.5 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 107.523 -1.288 . . . . 1.46 107.523 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -63.12 145.5 55.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.501 -1.375 . . . . 2.04 109.417 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.84 37.07 4.0 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 109.882 -1.287 . . . . 1.95 109.882 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -117.43 -102.78 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.407 -1.055 . . . . 3.56 110.153 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.86 -108.09 0.84 Allowed Glycine 0 N--CA 1.496 2.645 0 N-CA-C 108.943 -1.663 . . . . 1.32 108.943 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -138.61 85.01 2.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.43 -1.041 . . . . 1.06 108.669 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -131.22 131.13 43.73 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.807 -0.812 . . . . 2.5 108.807 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.459 ' O ' ' O ' ' A' ' 102' ' ' TYR . 37.4 t80 -129.58 129.7 44.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.82 109.275 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -126.6 136.28 52.33 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.243 -0.911 . . . . 2.34 109.305 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.4 mp -91.4 100.36 13.16 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 121.375 0.607 . . . . 1.3 110.482 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -78.66 -58.81 3.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.927 . . . . 1.6 110.093 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -139.64 77.32 28.27 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.022 -1.048 . . . . 2.54 110.82 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -74.52 42.14 0.76 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.444 1.429 . . . . 1.09 110.464 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.77 -44.1 74.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.685 -1.259 . . . . 2.89 109.212 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -71.27 -43.16 67.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.223 -0.923 . . . . 3.15 108.68 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' TRP . 38.0 t -67.55 -47.61 79.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.78 -0.575 . . . . 0.8 109.885 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.06 83.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.107 . . . . 0.84 109.06 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.03 -43.18 99.39 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.774 -1.204 . . . . 3.69 107.903 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.663 ' HE ' ' NH2' ' A' ' 68' ' ' ARG . 69.1 ttt180 -65.85 -39.37 90.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 3.46 109.125 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' VAL . 54.5 t-105 -58.82 -41.07 85.98 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.606 0.717 . . . . 1.08 109.095 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.89 -13.5 71.98 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.828 -1.309 . . . . 1.09 109.828 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.58 -40.74 96.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.155 -1.203 . . . . 2.71 109.145 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.663 ' NH2' ' HE ' ' A' ' 64' ' ' ARG . 11.2 mpt_? -60.53 -31.22 70.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.865 . . . . 3.88 109.548 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -88.79 1.11 55.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.949 -1.094 . . . . 2.56 108.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 60.91 27.98 17.79 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.835 -0.541 . . . . 3.49 111.648 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.57 160.0 30.49 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 120.973 -1.079 . . . . 2.35 108.646 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.515 ' O ' ' SD ' ' A' ' 74' ' ' MET . 4.0 Cg_endo -61.98 -153.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.212 -0.821 0 N-CA-C 108.361 -1.438 . . . . 2.96 108.361 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -92.47 126.63 37.64 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.939 -1.134 . . . . 5.24 107.939 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 72' ' ' PRO . 4.4 mpp? -115.87 159.96 20.82 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 109.032 -0.729 . . . . 2.41 109.032 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 p30 -69.38 156.34 38.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.257 -0.902 . . . . 1.48 110.532 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.566 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 81.9 t80 -69.39 -17.35 63.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 1.07 110.071 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -53.67 -35.86 61.52 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.269 -0.894 . . . . 2.53 110.156 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -57.67 -35.53 70.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.149 -0.969 . . . . 4.23 109.579 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.35 -46.4 76.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.982 -1.074 . . . . 1.17 109.096 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -60.86 -39.84 90.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.816 -1.177 . . . . 1.39 108.152 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' O ' ' CZ ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -75.49 -44.11 45.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.415 -0.803 . . . . 4.74 109.637 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.12 -47.37 59.67 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.789 -0.924 . . . . 0.8 110.789 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 92' ' ' ILE . 1.6 tp -62.26 -35.34 78.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.952 -1.322 . . . . 1.57 108.898 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -52.45 -43.82 65.15 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.292 -0.88 . . . . 2.34 109.554 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.42 ' HB2' HH12 ' A' ' 81' ' ' ARG . 54.3 t80 -71.58 -17.01 62.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.39 109.154 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.5 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 12.1 t80 -77.2 14.82 0.83 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.437 -0.789 . . . . 1.27 110.923 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.562 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.4 m-85 -87.25 18.36 3.78 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.988 -1.07 . . . . 1.65 108.956 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.59 -29.58 61.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.96 -1.087 . . . . 2.74 108.31 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -111.76 139.89 46.85 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.394 -0.965 . . . . 2.52 108.394 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -76.51 90.59 3.3 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.93 -1.106 . . . . 2.8 108.622 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.958 HG23 ' H ' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -138.02 -89.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 115.741 -0.663 . . . . 1.28 109.606 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.958 ' H ' HG23 ' A' ' 91' ' ' ILE . 9.3 tt -98.28 133.72 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.18 -0.95 . . . . 1.09 111.238 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -128.77 152.3 48.6 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.964 -0.754 . . . . 1.79 108.964 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.562 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 3.0 pptp? -103.84 147.73 26.96 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.994 -1.067 . . . . 2.83 110.076 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 97' ' ' GLY . 89.9 m -88.64 132.08 34.71 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.952 -0.758 . . . . 1.24 108.952 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.99 16.17 3.01 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.276 -0.89 . . . . 2.47 110.863 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.693 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.18 -38.39 29.8 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 119.539 -1.315 . . . . 2.32 109.957 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -127.34 -134.32 0.24 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.361 -1.082 . . . . 3.6 108.161 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 -30.41 0.91 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.82 -1.175 . . . . 5.66 109.886 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -106.15 21.78 16.79 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.13 -0.982 . . . . 1.27 110.159 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 101' ' ' VAL . 7.3 m -91.43 120.09 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.046 -1.034 . . . . 1.14 110.218 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 7.8 m-85 -119.08 150.41 40.03 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 109.134 -0.691 . . . . 1.23 109.134 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -158.75 169.15 25.02 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 120.889 -1.132 . . . . 2.9 109.694 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 31.3 m-85 -130.87 163.75 26.73 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.793 -0.567 . . . . 1.16 109.791 -178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 117.945 -1.026 . . . . 1.98 109.396 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.7 mm . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 109.263 -0.643 . . . . 2.8 109.263 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.555 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 5.9 tm0? -89.75 159.37 17.09 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.773 -0.825 . . . . 1.66 108.773 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 27' ' ' LEU . 5.0 tt -65.91 -67.24 0.46 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.2 -0.937 . . . . 1.54 111.773 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.6 p-90 -71.04 -38.86 72.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.11 -0.993 . . . . 1.16 112.085 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -50.08 62.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.409 -1.432 . . . . 2.34 108.12 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -64.04 -51.64 63.18 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.638 -0.664 . . . . 0.86 110.507 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.64 -40.15 90.89 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.191 -0.943 . . . . 1.52 108.611 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -67.87 -41.12 83.32 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.994 -0.743 . . . . 1.91 108.994 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -62.31 -39.68 93.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.064 -1.023 . . . . 2.46 109.342 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 44.1 tp -58.04 -34.11 69.73 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.847 0.832 . . . . 1.54 109.32 -179.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' CA ' ' HE1' ' A' ' 46' ' ' TRP . 5.9 mp -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.483 -0.761 . . . . 1.45 111.615 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.4 p -95.63 -3.16 46.76 Favored 'General case' 0 N--CA 1.511 2.58 0 O-C-N 120.648 -1.283 . . . . 1.68 113.097 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.624 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 43.3 p30 -101.69 -96.33 0.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.767 -1.208 . . . . 3.08 109.246 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.624 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 4.3 tmmm? -55.24 148.31 14.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.57 -1.331 . . . . 3.33 108.677 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.8 t -66.25 -43.23 87.13 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.923 -1.11 . . . . 2.66 110.691 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 71.24 -4.66 1.75 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.673 -0.642 . . . . 2.22 110.059 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -56.24 -39.24 72.25 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.903 -1.123 . . . . 3.09 109.713 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.9 t -83.28 -14.61 52.73 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.601 -0.687 . . . . 2.41 109.872 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -109.64 -10.22 14.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 1.56 109.858 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 tt -165.92 -170.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.997 -1.112 . . . . 1.14 107.997 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.478 ' N ' HG23 ' A' ' 44' ' ' ILE . 75.2 m -114.39 81.03 1.48 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.16 -0.962 . . . . 1.71 110.642 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.514 ' HE1' ' CA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.25 94.76 9.34 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.58 -1.267 . . . . 1.46 107.58 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -64.65 142.8 58.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.416 -1.427 . . . . 2.04 109.583 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.4 52.72 2.1 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 109.124 -1.59 . . . . 1.95 109.124 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 56.0 p30 -110.46 -121.64 0.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.665 -0.903 . . . . 3.56 108.916 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 49' ' ' ASP . . . -80.92 -95.67 0.41 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.155 -1.978 . . . . 1.32 108.155 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -145.92 78.82 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.95 -1.324 . . . . 1.06 109.62 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -129.61 130.0 45.07 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.813 -1.18 . . . . 2.5 107.813 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.538 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 44.0 t80 -119.36 128.48 54.12 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.755 -0.591 . . . . 0.82 109.678 -178.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -122.8 136.12 54.76 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.544 -0.723 . . . . 2.34 109.473 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -92.41 99.78 12.47 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.112 -0.993 . . . . 1.3 109.86 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.0 t -79.91 -59.15 2.84 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.957 -1.089 . . . . 1.6 109.534 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -148.8 79.85 8.4 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.52 -0.737 . . . . 2.54 110.4 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -74.38 49.4 2.04 Favored 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.282 1.321 . . . . 1.09 109.341 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.67 -40.35 76.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.524 -1.36 . . . . 2.89 110.164 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.12 -28.95 38.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.826 -1.171 . . . . 3.15 108.967 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.24 -38.18 80.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.816 -1.177 . . . . 0.8 108.286 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.33 85.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.727 -0.608 . . . . 0.84 110.177 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 64' ' ' ARG . 6.0 ppt_? -71.47 -35.56 70.89 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.682 -1.261 . . . . 3.69 109.736 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' C ' ' NE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -69.87 -42.84 72.96 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.234 -0.916 . . . . 3.46 108.87 179.603 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -58.41 -40.65 83.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.269 -0.895 . . . . 1.08 109.474 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.34 -22.49 60.47 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.95 -1.119 . . . . 1.09 110.328 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.47 -40.3 89.29 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -1.115 . . . . 2.71 109.643 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -27.07 65.66 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.077 -1.014 . . . . 3.88 109.967 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -96.95 12.41 32.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.371 -0.831 . . . . 2.56 109.349 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 56.35 58.49 4.22 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.409 0.623 . . . . 3.49 111.026 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.666 ' HZ3' ' CE ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -134.45 159.12 73.48 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 107.427 -1.323 . . . . 2.35 107.427 178.752 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.28 -87.32 0.0 OUTLIER 'Trans proline' 0 C--O 1.214 -0.714 0 C-N-CA 121.364 1.376 . . . . 2.96 109.893 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.87 159.5 41.68 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.207 -0.933 . . . . 5.24 109.814 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.666 ' CE ' ' HZ3' ' A' ' 71' ' ' LYS . 61.2 mtt -130.27 132.53 45.96 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.48 -0.763 . . . . 2.41 110.195 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.656 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -69.9 160.24 32.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.639 -1.245 . . . . 1.48 107.639 178.285 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.457 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 62.6 t80 -65.99 -28.24 68.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.883 -1.136 . . . . 1.07 110.797 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.656 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.4 mt-10 -59.97 -30.59 69.2 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.65 -1.282 . . . . 2.53 108.96 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -56.8 -38.51 72.66 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 118.808 -1.157 . . . . 4.23 108.857 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.44 -43.18 86.32 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.138 -1.06 . . . . 1.17 108.138 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.1 p -60.78 -36.36 78.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.041 -1.037 . . . . 1.39 108.733 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 81' ' ' ARG . 23.7 mtt-85 -60.35 -43.93 96.02 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.138 -0.976 . . . . 4.74 109.303 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.51 -45.69 9.48 Favored Glycine 0 N--CA 1.481 1.64 0 N-CA-C 109.871 -1.292 . . . . 0.8 109.871 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.74 -33.61 74.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -1.122 . . . . 1.57 112.632 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.682 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -59.77 -39.27 84.3 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.109 -1.619 . . . . 2.34 109.574 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.682 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 77.2 t80 -86.59 -16.97 35.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.624 -0.673 . . . . 1.39 110.272 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CE1' HD13 ' A' ' 27' ' ' LEU . 16.2 t80 -69.03 2.2 2.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.058 -1.026 . . . . 1.27 111.078 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -76.62 61.27 1.78 Allowed 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.254 -1.387 . . . . 1.65 107.254 177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -79.69 -53.95 6.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.103 -0.998 . . . . 2.74 110.669 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.41 ' NZ ' ' CB ' ' A' ' 89' ' ' LYS . 8.9 mtpm? -113.31 -98.58 0.43 Allowed 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.987 0.899 . . . . 2.52 109.192 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -162.0 84.39 0.59 Allowed 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.874 -1.158 . . . . 2.8 107.874 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -128.61 -51.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.796 -0.565 . . . . 1.28 109.702 -178.519 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.611 HD12 ' CE2' ' A' ' 104' ' ' PHE . 6.4 tt -134.28 128.26 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.749 -1.219 . . . . 1.09 109.428 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -128.79 138.96 52.37 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.277 -0.638 . . . . 1.79 109.277 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -76.82 152.56 35.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 2.83 109.961 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 97' ' ' GLY . 81.4 m -88.32 137.84 31.97 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.661 -0.866 . . . . 1.24 108.661 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.99 19.2 0.43 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.357 -0.84 . . . . 2.47 110.447 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 95' ' ' THR . . . -81.46 -87.12 0.66 Allowed Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.325 -1.51 . . . . 2.32 109.325 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.522 ' H ' HG21 ' A' ' 101' ' ' VAL . 56.5 mttp -104.42 -178.13 3.57 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.473 -1.016 . . . . 3.6 109.054 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -87.37 -12.69 45.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.987 -1.07 . . . . 5.66 110.955 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.22 5.66 30.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.117 -0.989 . . . . 1.27 110.77 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.522 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.3 m -91.06 123.77 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.625 -1.297 . . . . 1.14 111.372 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.457 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 25.7 m-85 -121.72 152.26 39.61 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.639 -0.874 . . . . 1.23 108.639 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -151.43 156.05 39.85 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.253 -1.017 . . . . 2.9 108.253 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.3 m-85 -118.01 144.49 45.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.465 -0.772 . . . . 1.16 109.169 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 118.113 -0.946 . . . . 1.98 109.491 -178.515 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 tt . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.737 -0.838 . . . . 2.8 108.737 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.605 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 9.3 tm0? -83.59 155.14 23.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 1.66 108.46 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.5 tt -55.52 -56.23 22.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.142 -0.974 . . . . 1.54 112.565 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.596 ' N ' HD23 ' A' ' 27' ' ' LEU . 53.2 p-90 -76.07 -30.25 58.28 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.359 -1.463 . . . . 1.16 111.115 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.64 -39.29 80.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.463 -1.398 . . . . 2.34 107.411 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -67.88 -49.86 59.66 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.416 0.626 . . . . 0.86 109.377 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.458 -0.776 . . . . 1.52 108.99 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -63.45 -47.92 79.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.52 -0.737 . . . . 1.91 110.197 -179.129 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -58.46 -43.25 88.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.708 -1.245 . . . . 2.46 109.933 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.76 -27.65 66.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.082 . . . . 1.54 108.759 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -59.54 -48.48 81.49 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 109.135 -0.691 . . . . 1.45 109.135 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -104.8 62.12 0.7 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.084 -1.01 . . . . 1.68 109.922 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -136.15 -120.61 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.453 -0.78 . . . . 3.08 109.243 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 39' ' ' SER . 6.2 ttpm? -55.48 163.61 1.22 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.174 -0.954 . . . . 3.33 108.92 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.484 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 16.8 t -60.45 -38.57 84.59 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.027 -1.101 . . . . 2.66 108.027 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.433 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 35.5 m 58.69 16.6 4.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.763 -0.829 . . . . 2.22 108.763 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 44' ' ' ILE . 1.4 tm0? -67.13 -41.19 86.54 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.594 -0.691 . . . . 3.09 110.67 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -73.81 -30.04 62.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.127 -0.983 . . . . 2.41 110.465 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -107.69 6.69 27.96 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.072 -1.017 . . . . 1.56 109.12 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.545 HG23 ' N ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -169.15 -175.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.534 -1.284 . . . . 1.14 107.534 -178.328 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.545 ' N ' HG23 ' A' ' 44' ' ' ILE . 43.0 t -129.95 104.91 7.64 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.195 -0.941 . . . . 1.71 109.276 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.443 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -94.24 127.71 40.26 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.704 -1.221 . . . . 1.46 107.704 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 49' ' ' ASP . 3.6 m -61.13 135.54 57.79 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.101 -0.999 . . . . 2.04 110.913 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.23 6.37 82.53 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.579 -1.408 . . . . 1.95 109.579 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' H ' HG22 ' A' ' 47' ' ' THR . 93.8 m-20 -126.44 -94.37 0.46 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.465 -1.021 . . . . 3.56 110.697 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.07 -117.5 0.7 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.48 -1.048 . . . . 1.32 110.48 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.408 ' N ' ' OE2' ' A' ' 52' ' ' GLU . 2.9 t90 -140.17 57.35 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.861 . . . . 1.06 109.102 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 47' ' ' THR . 2.1 mp0 -97.0 77.67 2.76 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 105.945 -1.872 . . . . 2.5 105.945 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -83.98 130.88 34.87 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.347 0.594 . . . . 0.82 110.198 -176.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -141.13 146.92 37.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.37 -0.974 . . . . 2.34 108.37 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 55' ' ' LEU . 9.5 mp -91.95 99.21 12.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.099 -1.001 . . . . 1.3 110.019 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.5 p -74.5 -49.37 22.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 1.6 110.86 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -139.75 76.98 28.28 Favored Pre-proline 0 N--CA 1.509 2.488 0 O-C-N 120.882 -1.136 . . . . 2.54 111.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -77.54 54.52 4.78 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.745 1.63 . . . . 1.09 109.738 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -71.58 -40.91 69.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.91 -1.119 . . . . 2.89 110.582 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -90.03 -32.96 16.52 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.834 -1.166 . . . . 3.15 109.661 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.02 -44.31 92.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.375 -0.972 . . . . 0.8 108.375 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.27 95.09 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.699 -0.852 . . . . 0.84 108.699 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -60.39 -43.61 96.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.006 -1.059 . . . . 3.69 109.098 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.42 ' NH2' ' CD ' ' A' ' 67' ' ' LYS . 3.1 mmp_? -68.88 -40.54 79.17 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.864 . . . . 3.46 110.576 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.403 ' CD1' ' NZ ' ' A' ' 69' ' ' LYS . 22.9 t-105 -66.06 -42.67 89.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.93 . . . . 1.08 109.616 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.78 -30.5 55.96 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.027 -1.229 . . . . 1.09 110.027 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' CD ' ' NH2' ' A' ' 64' ' ' ARG . 82.2 tttt -66.03 -40.14 90.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.127 -1.219 . . . . 2.71 110.361 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' A' ' 68' ' ' ARG . 0.3 OUTLIER -59.39 -10.48 3.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.857 -1.152 . . . . 3.88 109.135 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 58.9 mttp -93.12 9.07 37.49 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.117 -0.989 . . . . 2.56 110.416 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.1 m120 52.09 41.65 30.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.79 -1.194 . . . . 3.49 108.79 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 72' ' ' PRO . 4.6 mtpp -148.9 159.82 36.77 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.263 -0.898 . . . . 2.35 109.045 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 71' ' ' LYS . 5.6 Cg_exo -49.87 -175.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 121.192 1.261 . . . . 2.96 110.925 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -91.29 128.74 37.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.563 -0.71 . . . . 5.24 109.924 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 56.3 tpp -108.92 158.03 18.07 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 108.62 -0.882 . . . . 2.41 108.62 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -63.07 167.09 5.18 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 122.048 0.928 . . . . 1.48 111.95 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.474 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 63.3 t80 -63.99 -20.64 66.04 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.537 -0.542 . . . . 1.07 109.537 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.13 -27.54 46.04 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.088 -1.008 . . . . 2.53 108.59 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 40.3 pttt -59.36 -41.38 89.14 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.781 -0.822 . . . . 4.23 108.781 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.8 mt -68.58 -44.95 73.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.308 -0.87 . . . . 1.17 110.279 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 m -60.73 -44.17 96.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.857 -1.152 . . . . 1.39 110.088 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.558 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -63.65 -40.2 96.26 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.557 -0.714 . . . . 4.74 110.496 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.47 -44.65 6.1 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 119.694 -1.241 . . . . 0.8 110.645 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.687 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -60.14 -40.96 91.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -1.094 . . . . 1.57 109.676 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.729 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -61.09 -35.93 78.3 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.537 -1.352 . . . . 2.34 109.314 179.626 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.729 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 70.5 t80 -76.5 -9.09 58.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.222 -0.924 . . . . 1.39 109.702 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.4 t80 -73.89 11.94 0.78 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 1.27 110.856 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.508 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.4 m-85 -76.13 11.2 1.57 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.898 -1.126 . . . . 1.65 109.634 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -74.41 -33.98 63.15 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.702 -1.222 . . . . 2.74 107.702 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -108.58 137.05 47.17 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.399 -1.334 . . . . 2.52 107.399 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -76.72 90.02 3.41 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.013 -1.106 . . . . 2.8 108.013 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.98 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.2 tp -138.3 -84.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-N 116.157 -0.474 . . . . 1.28 110.434 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.98 ' H ' HG23 ' A' ' 91' ' ' ILE . 10.5 tt -98.44 132.63 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.837 -1.165 . . . . 1.09 110.781 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.508 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 12.7 m-70 -128.77 115.21 17.61 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.023 -1.103 . . . . 1.79 108.023 178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.507 ' H ' ' CD ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -80.68 174.87 11.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.006 -1.059 . . . . 2.83 110.018 -178.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.7 m -87.69 141.34 28.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.022 -1.049 . . . . 1.24 108.213 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.8 17.28 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 2.47 110.184 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.86 -123.54 0.69 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 109.309 -1.516 . . . . 2.32 109.309 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -142.36 -41.7 0.33 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.68 -0.894 . . . . 3.6 110.035 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.22 163.91 1.47 Allowed 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.773 0.796 . . . . 5.66 110.752 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -73.94 48.35 0.29 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.627 -0.671 . . . . 1.27 109.835 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.84 122.58 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.133 -0.979 . . . . 1.14 109.558 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.474 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 66.5 m-85 -119.29 153.98 34.21 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -149.75 158.07 43.82 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.631 -0.877 . . . . 2.9 108.631 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.622 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 28.8 m-85 -130.47 159.71 36.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 1.16 109.595 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.027 -0.987 . . . . 1.98 109.146 -179.384 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 108.875 -0.787 . . . . 2.8 108.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 1.3 tm0? -80.16 143.5 33.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.059 -1.026 . . . . 1.66 109.274 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.553 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.9 tt -59.88 -49.91 75.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 1.54 112.245 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 62.7 p-90 -82.87 -33.34 27.02 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.132 -1.605 . . . . 1.16 111.586 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -58.43 -37.84 76.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.151 -1.593 . . . . 2.34 107.824 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 68' ' ' ARG . 15.1 t80 -70.32 -56.02 7.75 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.616 -0.678 . . . . 0.86 109.667 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 31' ' ' LEU . 3.7 tt -58.59 -46.34 87.18 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.953 -1.092 . . . . 1.52 108.711 -178.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -59.83 -44.01 94.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.904 -1.123 . . . . 1.91 108.516 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -62.37 -41.18 98.42 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.681 -1.229 . . . . 2.46 107.681 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.406 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.77 -45.77 91.14 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.096 -1.446 . . . . 1.54 107.096 178.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 53' ' ' PHE . 12.0 tp -49.94 -41.71 46.93 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.236 -0.653 . . . . 1.45 109.236 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -97.35 60.46 1.63 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.311 -0.868 . . . . 1.68 110.022 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -119.08 -139.66 0.35 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.52 -0.737 . . . . 3.08 109.624 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.641 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 7.8 ttpt -56.82 -177.97 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.362 -0.836 . . . . 3.33 108.753 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.533 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 22.5 m -67.91 -34.2 76.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.042 -1.036 . . . . 2.66 108.873 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.641 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 64.2 m 56.11 17.36 2.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.562 -0.711 . . . . 2.22 109.814 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.11 -44.9 94.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.815 -1.178 . . . . 3.09 110.927 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -4.17 52.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.971 -1.081 . . . . 2.41 110.239 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 9.8 m-85 -118.28 -17.6 9.47 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.268 -0.895 . . . . 1.56 109.342 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 45' ' ' SER . 2.4 tt -163.79 -167.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 108.061 -1.089 . . . . 1.14 108.061 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.556 ' N ' HG23 ' A' ' 44' ' ' ILE . 18.0 m -128.1 122.05 31.11 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.891 -1.13 . . . . 1.71 110.444 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 108.06 15.52 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.541 -1.281 . . . . 1.46 107.541 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.1 p -70.06 159.43 33.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.847 -1.158 . . . . 2.04 109.891 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 52.99 0.67 Allowed Glycine 0 N--CA 1.497 2.703 0 N-CA-C 108.731 -1.748 . . . . 1.95 108.731 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -113.66 -149.69 0.45 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.64 -0.918 . . . . 3.56 109.121 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.69 -54.24 6.06 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.109 -1.596 . . . . 1.32 109.109 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -165.62 79.25 0.3 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.087 -1.243 . . . . 1.06 109.164 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.37 130.29 40.51 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.918 -0.771 . . . . 2.5 108.918 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.463 ' CG ' HD11 ' A' ' 35' ' ' LEU . 52.4 t80 -123.59 136.5 54.56 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.547 -0.72 . . . . 0.82 110.263 -178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -126.32 139.82 53.0 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.946 -0.761 . . . . 2.34 108.946 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -95.54 108.48 20.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.57 -0.706 . . . . 1.3 110.437 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -82.09 -65.76 0.97 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.936 -1.102 . . . . 1.6 109.286 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 59' ' ' ASP . 69.5 m-20 -147.26 72.35 12.0 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.103 -0.998 . . . . 2.54 110.757 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.93 64.44 0.22 Allowed 'Trans proline' 0 C--N 1.315 -1.198 0 C-N-CA 121.329 1.352 . . . . 1.09 110.449 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' ASP . 63.1 t0 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.729 -1.232 . . . . 2.89 110.474 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -80.51 -29.89 37.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 3.15 110.233 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.7 -44.12 79.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 0.8 110.508 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.23 82.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.026 -1.046 . . . . 0.84 109.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 9.3 mpt_? -67.01 -43.31 83.2 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.501 -0.749 . . . . 3.69 109.591 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -63.93 -40.09 95.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.914 -1.116 . . . . 3.46 109.555 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -60.57 -34.17 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.19 -0.944 . . . . 1.08 109.106 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.09 -29.87 59.92 Favored Glycine 0 N--CA 1.493 2.491 0 C-N-CA 120.463 -0.875 . . . . 1.09 111.064 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -66.34 -40.47 89.87 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.854 -1.38 . . . . 2.71 111.401 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 30' ' ' PHE . 35.5 ttm180 -58.73 -25.63 63.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.992 -1.068 . . . . 3.88 109.773 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' NZ ' ' CB ' ' A' ' 69' ' ' LYS . 6.7 mtpm? -91.82 9.96 30.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.399 -0.813 . . . . 2.56 109.161 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 55.45 50.46 14.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 3.49 110.392 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 72' ' ' PRO . 57.5 mttp -138.85 151.67 68.85 Favored Pre-proline 0 N--CA 1.496 1.831 0 N-CA-C 108.87 -0.789 . . . . 2.35 108.87 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.3 Cg_exo -55.23 -166.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.067 0 N-CA-C 108.465 -1.398 . . . . 2.96 108.465 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -85.33 142.57 29.23 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.734 -1.229 . . . . 5.24 110.053 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mtp -131.85 163.96 27.12 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.819 0.819 . . . . 2.41 110.181 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -68.22 156.52 37.45 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.927 0.87 . . . . 1.48 111.293 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -61.27 -12.31 12.94 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.422 0.63 . . . . 1.07 109.603 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -58.12 -37.64 74.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.347 -0.846 . . . . 2.53 110.355 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.83 -33.51 68.7 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.91 -1.118 . . . . 4.23 109.937 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.8 mt -67.93 -46.38 71.66 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.366 -0.934 . . . . 1.17 108.484 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -67.23 -43.32 82.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.849 -1.157 . . . . 1.39 108.897 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.5 ' O ' ' CZ ' ' A' ' 84' ' ' ARG . 35.8 ttp180 -68.0 -40.34 83.03 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.582 0.706 . . . . 4.74 109.381 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.85 -44.31 5.78 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 121.014 -1.054 . . . . 0.8 111.314 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 79' ' ' LEU . 7.2 tt -64.88 -36.26 83.77 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.791 -1.417 . . . . 1.57 109.989 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.559 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -56.48 -44.41 80.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.666 -1.271 . . . . 2.34 109.158 -178.774 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.42 ' H ' ' HG3' ' A' ' 84' ' ' ARG . 66.0 t80 -61.09 -13.12 14.93 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.82 -1.175 . . . . 1.39 108.52 178.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' A' ' 88' ' ' ASP . 4.2 t80 -76.54 6.78 5.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.542 -0.724 . . . . 1.27 111.608 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 34.6 m-85 -80.27 20.91 0.64 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.132 -1.605 . . . . 1.65 108.26 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 86' ' ' TYR . 95.7 m-20 -72.49 -37.64 68.37 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.806 -1.183 . . . . 2.74 107.806 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -108.76 136.38 48.42 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.138 -1.431 . . . . 2.52 107.138 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -77.81 86.82 4.05 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.623 -1.231 . . . . 2.8 108.049 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -127.4 -44.31 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 CA-C-N 115.311 -0.859 . . . . 1.28 109.334 -178.701 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.65 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.3 tt -137.97 129.75 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.924 -1.11 . . . . 1.09 109.186 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -120.3 147.89 44.42 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 1.79 109.199 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -73.66 143.28 46.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.465 -0.772 . . . . 2.83 110.08 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -96.43 128.24 43.17 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.747 . . . . 1.24 109.409 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.68 47.13 1.46 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.724 -1.235 . . . . 2.47 108.669 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.81 -73.91 1.28 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.556 -1.018 . . . . 2.32 110.556 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.428 ' H ' HG21 ' A' ' 101' ' ' VAL . 59.9 tttp -111.83 -71.11 0.77 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.307 -1.114 . . . . 3.6 110.285 -178.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -170.97 -57.39 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.234 -0.916 . . . . 5.66 108.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.61 27.11 3.15 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.176 -0.675 . . . . 1.27 109.176 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.428 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.5 m -87.19 124.47 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.395 -0.815 . . . . 1.14 110.837 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -115.64 151.88 34.18 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.53 -0.731 . . . . 1.23 109.581 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 103' ' ' ARG . 38.6 ttt-85 -148.89 149.88 32.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.135 -0.978 . . . . 2.9 109.219 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CE2' HD12 ' A' ' 92' ' ' ILE . 17.0 m-85 -118.61 150.92 38.88 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.616 0.722 . . . . 1.16 110.416 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 105' ' ' VAL . 10.6 p . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.84 -1.076 . . . . 1.98 109.176 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 14.7 tt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.082 -0.71 . . . . 2.8 109.082 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.567 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.2 tm0? -86.87 152.52 22.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.214 -0.929 . . . . 1.66 108.919 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 27' ' ' LEU . 9.4 tt -56.07 -56.28 22.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 1.54 112.163 -178.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.545 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.6 p-90 -76.54 -31.7 57.77 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.132 -1.605 . . . . 1.16 110.645 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.38 -42.8 92.51 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 118.244 -1.383 . . . . 2.34 107.28 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -62.85 -54.08 44.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.449 -0.782 . . . . 0.86 109.216 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.37 -41.81 97.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 1.52 109.891 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.63 -46.52 87.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.959 . . . . 1.91 109.95 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.92 -43.87 97.97 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.787 -1.195 . . . . 2.46 108.815 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -65.27 -28.13 69.13 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.108 -0.701 . . . . 1.54 109.108 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 53' ' ' PHE . 5.2 tp -56.08 -40.3 73.41 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.49 -0.756 . . . . 1.45 109.58 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -121.94 55.69 1.11 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.472 -0.768 . . . . 1.68 109.507 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -125.73 -104.44 0.35 Allowed 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.507 -0.746 . . . . 3.08 109.193 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -53.42 161.67 0.93 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.299 -0.876 . . . . 3.33 109.146 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -67.55 115.54 7.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.328 -1.36 . . . . 2.66 107.328 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.488 ' O ' ' O ' ' A' ' 44' ' ' ILE . 76.2 m -90.61 27.85 1.64 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.556 -0.715 . . . . 2.22 109.669 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -97.27 -39.03 9.44 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.223 -0.923 . . . . 3.09 111.393 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -79.21 -29.63 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.96 -1.088 . . . . 2.41 112.212 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CE2' ' CD ' ' A' ' 60' ' ' GLU . 96.8 m-85 -110.64 1.78 18.21 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.921 -1.112 . . . . 1.56 110.893 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.53 ' CG1' ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -171.8 173.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 118.461 -1.296 . . . . 1.14 109.542 -177.376 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 41.5 t -114.23 102.69 10.37 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.211 -0.93 . . . . 1.71 109.111 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.446 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.35 87.84 2.72 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.046 -1.464 . . . . 1.46 107.046 179.502 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -58.86 141.71 52.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.993 -1.067 . . . . 2.04 109.645 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.76 47.27 1.19 Allowed Glycine 0 N--CA 1.499 2.869 0 N-CA-C 109.858 -1.297 . . . . 1.95 109.858 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -112.59 -97.52 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.383 -1.069 . . . . 3.56 109.527 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.35 -102.0 0.6 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 108.809 -1.716 . . . . 1.32 108.809 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -156.62 82.21 0.96 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.229 -1.159 . . . . 1.06 109.408 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' OE2' ' CZ ' ' A' ' 103' ' ' ARG . 81.0 mm-40 -132.92 128.91 37.56 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.543 -1.28 . . . . 2.5 107.543 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.449 ' CD1' HD11 ' A' ' 35' ' ' LEU . 22.9 t80 -119.37 123.69 44.76 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.436 -0.79 . . . . 0.82 109.51 -179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -129.57 118.02 21.35 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.269 -0.894 . . . . 2.34 109.752 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 55' ' ' LEU . 5.1 mp -85.05 98.69 10.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.68 -0.637 . . . . 1.3 109.396 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.9 p -76.09 -39.28 55.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.09 -1.006 . . . . 1.6 110.066 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 59' ' ' ASP . 86.2 m-20 -134.74 71.44 70.37 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.317 -0.865 . . . . 2.54 109.883 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -72.18 33.05 0.28 Allowed 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.266 1.311 . . . . 1.09 110.114 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 57' ' ' ASP . 97.3 m-20 -69.89 -40.89 75.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.614 -1.304 . . . . 2.89 110.814 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 81.7 mt-10 -79.35 -41.72 27.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.968 -1.082 . . . . 3.15 109.099 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.7 -40.73 88.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 108.625 -0.88 . . . . 0.8 108.625 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.31 88.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.935 -1.103 . . . . 0.84 108.095 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.66 -44.11 87.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.535 -0.728 . . . . 3.69 109.289 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -59.38 -44.25 92.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 3.46 110.015 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -64.55 -37.19 86.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.554 -0.716 . . . . 1.08 110.173 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.48 -48.18 45.89 Favored Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.234 -0.984 . . . . 1.09 111.59 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -67.22 -14.76 63.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.773 -1.428 . . . . 2.71 111.219 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.428 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -59.24 -36.09 74.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.704 -1.248 . . . . 3.88 109.963 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -104.29 18.72 21.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.177 -0.952 . . . . 2.56 109.973 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 59.37 59.94 2.48 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.196 -0.94 . . . . 3.49 109.558 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.23 149.7 70.34 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 106.817 -1.549 . . . . 2.35 106.817 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -50.57 -86.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.088 0 N-CA-C 109.903 -0.845 . . . . 2.96 109.903 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.48 ' C ' ' SD ' ' A' ' 74' ' ' MET . 2.8 mptt -136.29 136.93 40.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.06 -1.025 . . . . 5.24 110.598 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.48 ' SD ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -115.76 115.81 26.95 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.881 -1.155 . . . . 2.41 107.881 178.048 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 28.0 p30 -71.86 178.83 3.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 1.48 110.893 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.01 -28.03 67.91 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.723 -0.611 . . . . 1.07 109.995 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 72.3 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 2.53 110.536 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -56.55 -36.31 69.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 4.23 109.334 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.6 mt -66.96 -41.54 86.7 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.734 -0.786 . . . . 1.17 109.576 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.0 p -64.91 -44.31 89.97 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.033 -1.067 . . . . 1.39 109.232 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -70.17 -39.49 75.26 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.194 -0.941 . . . . 4.74 110.79 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -84.11 -51.33 4.0 Favored Glycine 0 N--CA 1.495 2.617 0 O-C-N 120.87 -1.144 . . . . 0.8 111.55 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.765 ' O ' HD23 ' A' ' 83' ' ' LEU . 6.6 tt -62.54 -28.61 69.98 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.094 -1.239 . . . . 1.57 110.205 -177.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -60.03 -48.17 82.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.567 -1.333 . . . . 2.34 108.988 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.52 -8.66 2.93 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.331 -0.856 . . . . 1.39 109.632 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.47 ' C ' ' H ' ' A' ' 88' ' ' ASP . 3.9 t80 -74.78 4.91 5.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.132 -0.98 . . . . 1.27 111.056 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -68.51 7.83 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.983 -1.073 . . . . 1.65 109.251 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 86' ' ' TYR . 62.2 t0 -72.05 -37.81 69.61 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.753 -0.832 . . . . 2.74 108.753 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -105.4 137.27 43.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.619 -1.252 . . . . 2.52 107.619 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -77.02 93.01 3.77 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.724 -1.235 . . . . 2.8 107.96 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.953 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -140.12 -84.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.837 -0.539 . . . . 1.28 110.463 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.953 ' H ' HG23 ' A' ' 91' ' ' ILE . 12.8 tt -99.43 135.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.069 -1.019 . . . . 1.09 110.518 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -122.06 147.51 46.01 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.475 0.655 . . . . 1.79 109.499 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -81.65 152.33 27.18 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.785 0.802 . . . . 2.83 109.944 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.62 HG22 ' H ' ' A' ' 97' ' ' GLY . 94.2 m -92.08 123.02 35.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.613 -0.679 . . . . 1.24 109.689 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.42 -8.98 59.5 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.338 -0.851 . . . . 2.47 109.149 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.62 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.16 -34.98 39.64 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.941 -1.264 . . . . 2.32 109.941 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -129.89 178.8 6.26 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.518 -0.99 . . . . 3.6 109.114 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.08 -29.48 9.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.572 -0.705 . . . . 5.66 111.132 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -105.54 10.41 33.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.105 -0.997 . . . . 1.27 110.761 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.1 130.69 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.128 -0.983 . . . . 1.14 111.956 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -105.69 156.13 18.58 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.067 -1.086 . . . . 1.23 108.067 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.43 ' CZ ' ' OE2' ' A' ' 52' ' ' GLU . 58.6 ttt180 -145.15 150.99 37.74 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.166 -1.05 . . . . 2.9 108.166 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 21.5 m-85 -122.58 164.42 18.2 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.518 -0.739 . . . . 1.16 110.029 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.163 -0.922 . . . . 1.98 109.393 -179.144 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 26' ' ' GLN . 10.9 tt . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 108.832 -0.803 . . . . 2.8 108.832 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.633 ' N ' HG23 ' A' ' 25' ' ' ILE . 11.6 tm0? -88.41 158.03 18.51 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.513 -1.367 . . . . 1.66 108.576 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.1 tt -60.03 -52.52 65.04 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.079 -1.013 . . . . 1.54 112.135 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.4 p-90 -77.0 -31.06 56.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.581 -1.324 . . . . 1.16 110.698 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' OE1' ' CZ3' ' A' ' 28' ' ' TRP . 15.0 mm100 -60.08 -41.9 93.43 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.24 -1.392 . . . . 2.34 107.24 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -65.66 -55.68 16.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.369 -0.832 . . . . 0.86 109.132 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.56 -42.66 98.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.533 -0.729 . . . . 1.52 110.319 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.77 -46.67 86.94 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.704 -1.247 . . . . 1.91 110.5 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.38 -49.86 75.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.922 -1.111 . . . . 2.46 110.684 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.494 HD11 ' NZ ' ' A' ' 38' ' ' LYS . 17.6 tp -65.44 -39.77 92.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.872 -1.143 . . . . 1.54 108.46 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 35' ' ' LEU . 8.5 tt -68.73 -9.82 52.88 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.053 -0.522 . . . . 1.45 110.212 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.558 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 94.1 m -68.86 -79.99 0.05 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 118.898 -1.121 . . . . 1.68 112.278 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -134.43 28.24 3.69 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.933 -1.104 . . . . 3.08 112.37 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.494 ' NZ ' HD11 ' A' ' 34' ' ' LEU . 4.5 tmmm? -70.14 151.75 45.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.453 -1.405 . . . . 3.33 108.225 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -72.22 57.84 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 2.66 108.964 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.3 p -90.26 -8.92 49.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.505 -0.747 . . . . 2.22 110.391 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -57.77 -15.08 7.02 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 118.687 -1.205 . . . . 3.09 109.285 -178.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.1 m -75.18 -41.62 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.113 -0.992 . . . . 2.41 109.601 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.67 11.25 26.63 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.702 -1.221 . . . . 1.56 107.702 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.828 HD11 HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -161.6 -167.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.868 -1.53 . . . . 1.14 106.868 -179.38 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.671 ' N ' HG23 ' A' ' 44' ' ' ILE . 40.2 t -140.61 120.75 13.79 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.837 -1.165 . . . . 1.71 110.286 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.584 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -105.12 109.34 21.29 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.005 -1.48 . . . . 1.46 107.005 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.463 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 13.2 t -52.77 148.03 8.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.721 -1.237 . . . . 2.04 109.792 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.24 25.46 23.37 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 108.41 -1.876 . . . . 1.95 108.41 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -115.3 -103.75 0.41 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.422 -1.046 . . . . 3.56 110.062 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.84 -110.81 0.77 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.958 -1.257 . . . . 1.32 109.958 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -139.38 84.68 2.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.596 -0.943 . . . . 1.06 109.677 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' H ' ' CG2' ' A' ' 47' ' ' THR . 92.1 mt-10 -132.7 130.95 40.72 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.593 -1.262 . . . . 2.5 107.593 178.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.443 ' CG ' HD11 ' A' ' 35' ' ' LEU . 31.4 t80 -121.4 130.78 53.8 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.247 -0.908 . . . . 0.82 109.101 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -116.6 116.52 27.74 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.234 -0.916 . . . . 2.34 111.111 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.828 HD23 HD11 ' A' ' 44' ' ' ILE . 2.7 mt -87.37 75.29 9.27 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.819 -0.808 . . . . 1.3 108.819 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -78.46 -49.66 13.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.605 -0.685 . . . . 1.6 111.911 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' ASP . 96.0 m-20 -134.72 69.07 72.09 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.157 -0.964 . . . . 2.54 111.082 -178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -67.22 69.88 0.61 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.589 1.526 . . . . 1.09 108.657 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 26.4 p-10 -69.57 -49.04 58.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.929 -1.107 . . . . 2.89 110.121 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 72.9 mm-40 -89.73 -32.64 16.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.918 -1.114 . . . . 3.15 109.78 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.32 -43.98 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.059 -1.025 . . . . 0.8 109.129 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.97 -46.6 74.14 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.115 -0.991 . . . . 0.84 109.259 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -65.3 -43.82 89.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.264 -0.897 . . . . 3.69 109.956 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -65.26 -43.93 89.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.212 -0.93 . . . . 3.46 110.578 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -62.07 -41.05 97.75 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.419 -0.801 . . . . 1.08 109.121 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.49 -37.56 11.97 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.644 -0.982 . . . . 1.09 110.644 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -64.44 -35.19 80.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.348 . . . . 2.71 108.808 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.3 -24.44 63.28 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.864 -1.161 . . . . 3.88 107.864 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -94.18 12.21 27.39 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.228 -0.656 . . . . 2.56 109.228 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 62.62 24.73 14.73 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 109.159 -0.682 . . . . 3.49 109.159 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -140.25 71.57 33.22 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.326 -0.858 . . . . 2.35 108.906 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -69.5 2.5 3.33 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.864 1.71 . . . . 2.96 109.168 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -91.0 -0.53 57.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 5.24 109.864 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mmt -81.62 124.56 29.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.2 -0.938 . . . . 2.41 110.218 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -72.49 177.3 4.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.575 -0.703 . . . . 1.48 110.227 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -64.05 -15.73 60.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.938 . . . . 1.07 109.556 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.76 -37.06 77.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.996 -1.065 . . . . 2.53 111.218 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -58.32 -29.26 65.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.424 -1.422 . . . . 4.23 109.425 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.96 -42.0 73.75 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.063 -1.023 . . . . 1.17 108.795 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.2 p -59.93 -45.23 93.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.108 . . . . 1.39 109.734 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.402 HH11 ' HG3' ' A' ' 81' ' ' ARG . 28.9 ttm-85 -64.99 -39.9 94.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.236 -0.915 . . . . 4.74 109.999 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.55 -45.22 6.96 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.963 -1.113 . . . . 0.8 110.763 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.724 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -64.04 -40.45 96.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.092 -1.24 . . . . 1.57 110.22 -178.493 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.669 ' C ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -56.96 -41.88 79.11 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.084 -1.635 . . . . 2.34 110.781 -178.171 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -75.94 -6.99 53.5 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.759 -1.213 . . . . 1.39 110.087 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -76.34 6.04 6.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.179 -0.951 . . . . 1.27 112.08 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 15.7 m-85 -82.59 23.57 0.78 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.022 -1.674 . . . . 1.65 108.951 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.82 -41.06 68.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.156 -0.965 . . . . 2.74 108.964 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -107.52 142.41 37.45 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.83 -1.174 . . . . 2.52 107.83 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 23.3 p-10 -78.02 87.42 4.17 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.229 1.014 . . . . 2.8 109.628 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -137.32 -43.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.82 -1.178 . . . . 1.28 107.82 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.555 HD12 ' CE2' ' A' ' 104' ' ' PHE . 4.1 tt -140.13 133.84 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 1.09 109.204 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.502 ' NE2' ' CG1' ' A' ' 105' ' ' VAL . 4.8 p80 -137.71 155.95 48.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.463 -0.773 . . . . 1.79 109.556 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -71.25 143.96 50.21 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.695 -0.628 . . . . 2.83 110.033 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 m -88.34 142.61 27.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 1.24 108.733 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.12 7.65 0.93 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.446 -0.783 . . . . 2.47 110.87 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.2 -98.52 0.22 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.005 -1.638 . . . . 2.32 109.005 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.517 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.7 mmmt -105.16 -178.82 3.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.604 -0.939 . . . . 3.6 109.457 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -85.1 -8.42 58.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.942 . . . . 5.66 109.24 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -105.12 -0.14 26.89 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.357 -0.839 . . . . 1.27 111.081 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.517 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -89.56 124.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.762 -1.211 . . . . 1.14 110.094 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.773 ' CD2' HD12 ' A' ' 55' ' ' LEU . 76.6 m-85 -112.85 150.09 32.2 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.587 -0.894 . . . . 1.23 108.587 178.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -147.67 156.86 43.21 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.312 -0.867 . . . . 2.9 108.886 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CE2' HD12 ' A' ' 92' ' ' ILE . 22.3 m-85 -130.23 161.59 30.85 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.49 0.662 . . . . 1.16 109.829 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.502 ' CG1' ' NE2' ' A' ' 93' ' ' HIS . 15.6 m . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 117.832 -1.08 . . . . 1.98 110.048 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.2 tt . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 107.755 -1.202 . . . . 2.8 107.755 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.541 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 7.1 tm0? -78.75 151.8 31.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.646 -1.283 . . . . 1.66 108.363 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.642 HD11 ' CZ2' ' A' ' 65' ' ' TRP . 11.9 tp -62.47 -66.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.912 -1.118 . . . . 1.54 111.21 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 48.0 p-90 -60.15 -35.71 75.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.18 . . . . 1.16 110.981 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -59.64 -40.2 86.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.396 -1.44 . . . . 2.34 107.429 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -68.92 -47.53 65.51 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.04 -1.096 . . . . 0.86 108.04 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.38 -45.16 94.53 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.326 -0.99 . . . . 1.52 108.326 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -58.08 -52.76 64.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 1.91 109.432 -179.386 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.9 -46.96 87.66 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.914 -1.143 . . . . 2.46 107.914 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -60.58 -42.32 96.43 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.145 -1.057 . . . . 1.54 108.145 178.627 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.0 tt -45.78 -52.78 10.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.294 -0.879 . . . . 1.45 109.71 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -131.11 72.66 1.51 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.968 -1.082 . . . . 1.68 111.518 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 21.2 p-10 -109.26 -51.27 2.9 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.234 -0.916 . . . . 3.08 109.484 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.488 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 42.8 pttt -104.91 -160.77 0.78 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.846 -0.798 . . . . 3.33 108.846 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -66.83 -36.22 81.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.07 -1.019 . . . . 2.66 108.909 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 57.9 m 53.44 27.11 6.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 2.22 110.646 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.58 -48.0 5.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.013 -1.054 . . . . 3.09 110.425 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -77.62 -11.84 59.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.437 -0.789 . . . . 2.41 111.361 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -109.61 -12.47 14.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.079 -1.013 . . . . 1.56 109.636 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.53 ' CG1' ' H ' ' A' ' 45' ' ' SER . 7.5 tt -166.41 -176.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.194 -0.941 . . . . 1.14 109.721 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.53 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 31.4 t -113.9 110.53 20.25 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.28 -0.888 . . . . 1.71 111.131 -179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.89 104.37 11.55 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 106.899 -1.519 . . . . 1.46 106.899 178.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -76.79 146.49 37.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.546 -1.346 . . . . 2.04 110.144 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.69 66.52 1.38 Allowed Glycine 0 N--CA 1.496 2.692 0 N-CA-C 109.707 -1.357 . . . . 1.95 109.707 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -122.92 -124.64 0.26 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.453 -1.028 . . . . 3.56 109.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.9 -81.9 0.75 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.548 -1.821 . . . . 1.32 108.548 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -159.89 76.46 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -1.157 . . . . 1.06 108.958 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -125.64 135.46 52.17 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.785 -1.191 . . . . 2.5 107.785 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD1' HD21 ' A' ' 35' ' ' LEU . 50.2 t80 -126.98 131.92 50.93 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.731 -0.606 . . . . 0.82 109.718 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -124.57 132.85 53.43 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.52 -0.737 . . . . 2.34 109.868 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.2 mp -92.38 108.65 20.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.326 -0.858 . . . . 1.3 110.943 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.8 t -83.14 -67.7 0.77 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 1.6 109.817 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' ASP . 74.4 m-20 -143.75 71.13 17.19 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.373 -0.829 . . . . 2.54 110.562 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -65.15 50.67 0.21 Allowed 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.375 1.383 . . . . 1.09 109.33 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t0 -67.32 -39.44 85.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.903 -1.123 . . . . 2.89 109.288 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -73.75 -36.47 65.13 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.361 -0.837 . . . . 3.15 108.792 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.18 -37.76 78.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.735 -0.603 . . . . 0.8 110.093 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.33 90.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.737 -1.227 . . . . 0.84 109.206 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 -60.3 -45.45 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.343 -0.848 . . . . 3.69 109.049 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 64' ' ' ARG . 25.4 mtt-85 -61.62 -40.25 94.17 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.146 -0.971 . . . . 3.46 109.74 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.642 ' CZ2' HD11 ' A' ' 27' ' ' LEU . 7.2 t-105 -64.49 -35.48 81.08 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.591 0.71 . . . . 1.08 109.692 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.35 -33.22 9.58 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.694 -0.765 . . . . 1.09 111.249 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.76 -41.05 94.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.671 -1.487 . . . . 2.71 110.261 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.96 -33.1 72.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.811 -1.181 . . . . 3.88 109.53 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -92.92 1.36 57.34 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.241 -0.912 . . . . 2.56 109.118 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 54.96 46.9 23.38 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 112.63 0.604 . . . . 3.49 112.63 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -95.39 159.49 32.65 Favored Pre-proline 0 N--CA 1.505 2.319 0 O-C-N 120.699 -1.251 . . . . 2.35 108.242 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -63.16 -61.15 0.14 Allowed 'Trans proline' 0 N--CA 1.48 0.71 0 C-N-CA 121.155 1.236 . . . . 2.96 109.468 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -134.01 145.29 49.33 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.348 -0.982 . . . . 5.24 108.348 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 30.4 ttm -126.59 99.76 5.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.267 -0.896 . . . . 2.41 109.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' ASN . 25.9 p30 -70.54 159.1 34.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.228 -0.92 . . . . 1.48 109.393 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.55 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 t80 -69.43 -21.43 63.74 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.365 -0.834 . . . . 1.07 109.208 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.556 ' OE2' ' NH2' ' A' ' 81' ' ' ARG . 57.3 tt0 -59.71 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.519 -0.738 . . . . 2.53 109.98 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.72 -39.55 68.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 4.23 110.07 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.45 -43.23 81.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.043 -1.036 . . . . 1.17 109.856 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 m -63.88 -45.09 90.97 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.24 . . . . 1.39 108.025 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.556 ' NH2' ' OE2' ' A' ' 77' ' ' GLU . 85.6 mtt180 -68.63 -46.23 69.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.44 -0.788 . . . . 4.74 110.648 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -51.68 12.06 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.036 -1.078 . . . . 0.8 111.595 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.471 HD21 HD12 ' A' ' 92' ' ' ILE . 8.0 tt -60.42 -30.98 69.97 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.958 -1.319 . . . . 1.57 110.855 -178.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -52.7 -49.95 64.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.593 -1.317 . . . . 2.34 108.843 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.28 -12.15 8.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.455 -0.778 . . . . 1.39 110.584 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.481 ' C ' ' H ' ' A' ' 88' ' ' ASP . 2.6 t80 -72.3 2.31 6.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.101 -0.999 . . . . 1.27 110.427 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.71 6.08 0.38 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.48 -1.388 . . . . 1.65 109.182 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 86' ' ' TYR . 83.3 m-20 -69.5 -41.29 76.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.149 -1.056 . . . . 2.74 108.149 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -108.48 132.05 54.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.386 -1.339 . . . . 2.52 107.386 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -81.33 87.18 6.16 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.697 -1.252 . . . . 2.8 108.205 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -135.39 -49.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.695 -0.854 . . . . 1.28 108.695 -179.358 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -129.61 111.59 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.386 -0.968 . . . . 1.09 108.386 178.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.494 ' N ' HD13 ' A' ' 92' ' ' ILE . 13.1 m170 -106.16 153.82 21.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.654 -0.654 . . . . 1.79 109.255 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -84.74 131.7 34.53 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.612 -1.255 . . . . 2.83 107.612 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.7 m -87.56 132.24 34.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.18 -0.95 . . . . 1.24 110.177 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.37 51.38 1.81 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.349 -0.845 . . . . 2.47 108.892 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.96 -84.68 0.84 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.715 -1.754 . . . . 2.32 108.715 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.606 ' H ' HG21 ' A' ' 101' ' ' VAL . 82.2 tttt -120.75 -64.36 1.25 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.597 -0.943 . . . . 3.6 108.894 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -171.9 -38.84 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.065 -1.022 . . . . 5.66 110.797 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -103.42 25.34 9.73 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.041 -1.037 . . . . 1.27 108.283 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.606 HG21 ' H ' ' A' ' 98' ' ' LYS . 1.8 t -92.55 119.19 39.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.742 0.782 . . . . 1.14 109.992 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 13.8 m-85 -116.59 151.86 35.36 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.11 -0.7 . . . . 1.23 109.11 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -154.05 156.23 36.94 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.802 -0.814 . . . . 2.9 108.802 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.479 ' CE1' HD12 ' A' ' 35' ' ' LEU . 22.3 m-85 -120.71 152.75 37.85 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.707 -0.62 . . . . 1.16 109.585 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.881 -1.057 . . . . 1.98 109.309 -179.253 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.0 tp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.468 -0.567 . . . . 2.8 109.468 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 3.6 tm0? -88.9 153.72 20.82 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.976 -1.077 . . . . 1.66 108.91 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD23 ' C ' ' A' ' 27' ' ' LEU . 9.8 tt -56.54 -56.53 20.16 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.755 -1.215 . . . . 1.54 112.242 -178.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.501 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 59.1 p-90 -74.54 -31.14 62.02 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.366 -1.459 . . . . 1.16 110.884 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -59.85 -39.87 86.66 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.401 -1.333 . . . . 2.34 107.401 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -65.32 -56.36 13.1 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.482 -0.933 . . . . 0.86 108.482 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.9 -43.94 94.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.678 -0.639 . . . . 1.52 110.01 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -44.17 97.17 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.792 -1.193 . . . . 1.91 109.274 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -64.97 -44.25 89.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.803 -1.185 . . . . 2.46 108.223 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.95 -42.66 94.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.316 -1.365 . . . . 1.54 107.316 178.765 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.534 HD11 ' CG ' ' A' ' 53' ' ' PHE . 8.6 tp -50.31 -40.01 47.37 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.575 -0.703 . . . . 1.45 109.864 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -108.07 50.29 0.78 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.278 -0.889 . . . . 1.68 110.339 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -107.46 -115.3 0.27 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.139 -0.975 . . . . 3.08 109.67 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.547 ' NZ ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pttt -64.6 -171.63 0.06 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.219 -0.926 . . . . 3.33 110.091 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 41' ' ' GLN . 32.8 t -69.14 -44.28 72.64 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.706 -0.85 . . . . 2.66 108.706 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ILE . 5.0 t 59.24 1.3 0.22 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.488 -0.757 . . . . 2.22 109.902 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' A' ' 39' ' ' SER . 96.4 mt-30 -59.84 -40.25 87.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.981 . . . . 3.09 110.192 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 43' ' ' PHE . 82.7 p -79.51 -10.89 59.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 2.41 109.684 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CD1' ' NZ ' ' A' ' 38' ' ' LYS . 87.6 m-85 -111.47 -15.21 13.59 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.54 -0.725 . . . . 1.56 109.832 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.65 HD11 ' HG ' ' A' ' 55' ' ' LEU . 6.9 tt -164.31 -178.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.347 -0.941 . . . . 1.14 109.422 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 t -113.54 111.29 21.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.168 -0.957 . . . . 1.71 110.324 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 109.88 19.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 106.283 -1.747 . . . . 1.46 106.283 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -55.87 142.77 33.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.59 -1.319 . . . . 2.04 109.608 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.35 17.73 55.04 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.166 -1.573 . . . . 1.95 109.166 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -109.15 -106.52 0.35 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.43 -1.041 . . . . 3.56 110.977 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -110.41 0.32 Allowed Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.099 -1.601 . . . . 1.32 109.099 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -143.2 100.21 3.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.22 -1.165 . . . . 1.06 110.497 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -147.83 131.86 17.24 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.504 -1.295 . . . . 2.5 107.504 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 41.6 t80 -123.17 127.02 48.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.511 -0.743 . . . . 0.82 110.109 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -124.92 132.4 53.3 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.434 -0.791 . . . . 2.34 108.884 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.65 ' HG ' HD11 ' A' ' 44' ' ' ILE . 7.8 mp -89.51 90.4 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.124 -0.985 . . . . 1.3 109.427 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -71.22 -48.47 51.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 1.6 109.67 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 43' ' ' PHE . 20.7 p-10 -148.53 79.98 8.55 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.212 -0.93 . . . . 2.54 111.185 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -76.8 50.48 3.06 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 120.92 1.08 . . . . 1.09 109.828 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 40.5 p-10 -68.46 -42.94 78.06 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.405 -1.434 . . . . 2.89 110.58 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 10.2 tp10 -80.5 -40.54 25.9 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.624 -1.297 . . . . 3.15 109.658 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.57 -44.43 93.84 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.438 -0.789 . . . . 0.8 110.148 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.7 54.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.041 -1.037 . . . . 0.84 109.659 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.74 -42.23 95.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.144 -0.972 . . . . 3.69 109.262 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 64' ' ' ARG . 24.9 ttt-85 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 3.46 109.093 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.434 ' CD2' HD21 ' A' ' 79' ' ' LEU . 52.3 t-105 -52.09 -36.31 50.5 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.235 -0.916 . . . . 1.08 108.975 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -86.68 -22.41 46.77 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.156 -1.021 . . . . 1.09 110.988 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -63.39 -35.63 81.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.563 -1.551 . . . . 2.71 110.247 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -55.15 -40.09 70.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.885 -1.134 . . . . 3.88 108.551 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -103.05 20.81 16.88 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.73 -0.841 . . . . 2.56 108.73 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.12 57.51 4.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.503 -0.748 . . . . 3.49 110.367 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 66' ' ' GLY . 41.5 mmtm -137.06 68.49 56.68 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 121.008 -1.058 . . . . 2.35 109.75 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -67.72 -5.2 13.74 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.182 1.254 . . . . 2.96 109.531 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -93.66 -0.93 55.86 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.15 -0.969 . . . . 5.24 110.385 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.7 mmt -85.68 106.77 17.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.868 -1.145 . . . . 2.41 110.335 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -71.49 -178.4 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.133 0.968 . . . . 1.48 110.904 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.471 ' OH ' ' OH ' ' A' ' 102' ' ' TYR . 82.5 t80 -58.15 -29.04 65.26 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.794 -0.639 . . . . 1.07 109.483 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -59.15 -30.09 67.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.094 -1.004 . . . . 2.53 109.033 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -55.2 -40.4 70.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.688 -1.227 . . . . 4.23 107.688 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD21 ' CD2' ' A' ' 65' ' ' TRP . 33.4 mt -68.09 -40.81 82.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.465 -0.772 . . . . 1.17 109.52 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -62.25 -49.54 75.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.71 -1.244 . . . . 1.39 109.606 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.618 ' CG ' HH11 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.68 -42.14 82.57 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.196 -1.001 . . . . 4.74 108.829 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.03 -52.44 23.62 Favored Glycine 0 N--CA 1.496 2.669 0 C-N-CA 120.162 -1.018 . . . . 0.8 110.887 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.846 HD11 HG21 ' A' ' 92' ' ' ILE . 24.5 tp -67.77 -33.63 75.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.924 -1.339 . . . . 1.57 110.468 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.543 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.2 tmt_? -58.27 -50.89 72.0 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.165 -0.96 . . . . 2.34 110.138 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -71.54 -16.69 62.33 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.006 -1.059 . . . . 1.39 109.095 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 26.7 t80 -73.29 7.1 2.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.635 -0.665 . . . . 1.27 112.454 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.543 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 37.9 m-85 -78.93 20.75 0.45 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.042 -1.661 . . . . 1.65 108.574 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 86' ' ' TYR . 84.4 m-20 -72.19 -34.06 68.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.355 -0.84 . . . . 2.74 109.229 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 91' ' ' ILE . 11.9 mptt -103.76 140.68 37.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.926 -1.139 . . . . 2.52 107.926 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -76.27 92.54 3.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.866 -1.146 . . . . 2.8 108.084 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.965 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -142.19 -87.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.827 -0.624 . . . . 1.28 109.586 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.965 ' H ' HG23 ' A' ' 91' ' ' ILE . 19.9 tt -94.93 127.9 46.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.966 -1.084 . . . . 1.09 110.343 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -128.37 138.23 52.26 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.317 -0.994 . . . . 1.79 108.317 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -72.22 156.11 39.5 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.815 -1.178 . . . . 2.83 109.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 97' ' ' GLY . 89.3 m -89.82 137.47 32.31 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.205 -0.934 . . . . 1.24 108.673 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.44 10.53 0.46 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 2.47 110.757 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.495 ' H ' HG22 ' A' ' 95' ' ' THR . . . -79.83 -89.08 0.5 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.377 -1.489 . . . . 2.32 109.377 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.442 ' H ' HG21 ' A' ' 101' ' ' VAL . 89.7 mttt -107.94 178.4 4.53 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.329 -1.101 . . . . 3.6 108.354 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -89.34 -9.41 50.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.662 -1.274 . . . . 5.66 109.582 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -99.95 2.58 43.72 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.128 -0.982 . . . . 1.27 110.411 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.442 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.7 m -94.21 125.58 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.711 -1.243 . . . . 1.14 110.273 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.533 ' CD1' HD13 ' A' ' 55' ' ' LEU . 7.9 m-85 -112.35 150.08 31.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.63 -0.878 . . . . 1.23 108.63 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' A' ' 103' ' ' ARG . 37.9 ttt-85 -149.02 158.19 43.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.068 -1.02 . . . . 2.9 109.979 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.721 ' CE2' HD12 ' A' ' 92' ' ' ILE . 81.2 m-85 -128.03 159.56 34.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.526 -0.733 . . . . 1.16 109.558 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 91' ' ' ILE . 19.3 m . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 118.049 -0.977 . . . . 1.98 109.367 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 pt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.48 0.657 . . . . 2.8 110.386 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.57 ' NE2' ' OH ' ' A' ' 86' ' ' TYR . 1.8 tm0? -90.63 145.44 24.84 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.495 -1.298 . . . . 1.66 107.495 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 27' ' ' LEU . 1.2 tm? -56.33 -59.49 4.88 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.743 -1.223 . . . . 1.54 111.501 -177.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.555 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.0 p-90 -72.3 -36.91 69.04 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.741 -1.224 . . . . 1.16 113.054 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -58.71 -38.21 77.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 117.677 -1.609 . . . . 2.34 108.181 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.95 -45.96 66.31 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.376 -0.827 . . . . 0.86 110.515 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 tp -67.47 -43.7 80.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.897 -1.127 . . . . 1.52 110.218 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.37 -46.71 88.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 1.91 109.163 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.09 -40.08 94.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.702 -1.249 . . . . 2.46 108.529 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.55 -28.44 69.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 1.54 109.802 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 4.8 mp -60.04 -41.37 92.13 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.527 -1.358 . . . . 1.45 108.397 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.1 p -109.42 61.16 0.6 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.272 -0.893 . . . . 1.68 110.676 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 -104.31 0.21 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.01 -1.056 . . . . 3.08 109.933 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 174.38 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.444 -0.785 . . . . 3.33 110.32 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -74.48 114.95 13.46 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.661 0.743 . . . . 2.66 109.05 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.1 m -80.63 6.67 12.02 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 122.003 0.906 . . . . 2.22 109.157 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -98.28 61.61 1.45 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.3 -0.875 . . . . 3.09 110.447 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -159.86 -55.9 0.06 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.975 -1.078 . . . . 2.41 109.264 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -124.07 19.24 9.18 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.786 -0.82 . . . . 1.56 108.786 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.511 ' CG1' ' H ' ' A' ' 45' ' ' SER . 8.0 tt -163.86 179.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.217 -0.993 . . . . 1.14 110.428 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.511 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 23.2 t -138.16 129.97 28.26 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.073 -1.017 . . . . 1.71 111.349 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.406 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.49 105.86 12.95 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 106.66 -1.607 . . . . 1.46 106.66 178.775 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.468 HG21 ' H ' ' A' ' 52' ' ' GLU . 10.7 t -63.3 141.98 58.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.494 -1.379 . . . . 2.04 109.526 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.29 30.92 9.17 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.037 -1.225 . . . . 1.95 110.037 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -120.87 -94.36 0.5 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.37 -1.076 . . . . 3.56 110.423 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.4 -108.84 0.52 Allowed Glycine 0 N--CA 1.484 1.868 0 N-CA-C 109.594 -1.402 . . . . 1.32 109.594 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.456 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 56.3 t-105 -151.09 49.37 0.84 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 1.06 109.64 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' H ' HG21 ' A' ' 47' ' ' THR . 94.5 mt-10 -99.16 108.24 20.79 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.948 -1.095 . . . . 2.5 108.45 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -107.94 130.38 55.04 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.543 -0.91 . . . . 0.82 108.543 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -138.71 138.18 37.48 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.03 -1.044 . . . . 2.34 110.739 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.24 94.96 9.81 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.833 -0.803 . . . . 1.3 108.833 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -72.56 -43.0 64.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.973 -1.079 . . . . 1.6 110.097 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ASP . 95.5 m-20 -132.11 71.32 80.01 Favored Pre-proline 0 N--CA 1.503 2.218 0 O-C-N 121.305 -0.872 . . . . 2.54 109.346 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.38 46.24 0.35 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.343 1.362 . . . . 1.09 109.886 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' ASP . 98.3 m-20 -69.35 -43.02 74.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.635 -1.291 . . . . 2.89 108.928 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -86.47 -33.84 20.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.823 . . . . 3.15 109.792 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.66 -45.25 85.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 119.498 -0.881 . . . . 0.8 109.59 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.54 92.11 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.243 -0.911 . . . . 0.84 109.924 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -68.41 -41.99 79.63 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.613 -0.679 . . . . 3.69 109.678 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.556 HH11 ' HG2' ' A' ' 64' ' ' ARG . 12.7 ttt-85 -65.74 -39.67 91.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 3.46 109.808 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.538 ' CE2' HD21 ' A' ' 79' ' ' LEU . 10.0 t-105 -55.24 -44.39 75.46 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.196 -0.94 . . . . 1.08 109.502 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.76 -15.86 64.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.566 -1.014 . . . . 1.09 110.566 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.28 -43.04 92.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.099 -1.236 . . . . 2.71 109.994 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.04 -18.22 65.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.772 -1.205 . . . . 3.88 109.062 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -92.93 6.21 48.61 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.19 -0.67 . . . . 2.56 109.19 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 57.94 40.61 25.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.386 0.612 . . . . 3.49 109.898 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -111.23 149.17 40.15 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 107.773 -1.195 . . . . 2.35 107.773 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.2 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.869 0 N-CA-C 109.161 -1.13 . . . . 2.96 109.161 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -135.11 143.97 46.88 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.57 -0.9 . . . . 5.24 108.57 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.1 mtp -125.19 140.13 53.13 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.776 -0.824 . . . . 2.41 108.776 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.66 165.04 23.76 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.936 0.874 . . . . 1.48 110.866 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.32 -20.38 66.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.127 -0.694 . . . . 1.07 109.127 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.64 -36.92 77.33 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.439 -0.788 . . . . 2.53 109.908 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -54.97 -40.52 70.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.793 -1.192 . . . . 4.23 109.537 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 65' ' ' TRP . 29.7 mt -66.48 -43.34 85.69 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.229 -0.92 . . . . 1.17 109.571 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.9 m -59.16 -51.39 70.21 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.825 -1.172 . . . . 1.39 109.779 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.533 ' NH1' HH21 ' A' ' 84' ' ' ARG . 8.8 tpm_? -69.39 -41.18 76.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 4.74 109.986 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.92 23.21 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 119.594 -1.289 . . . . 0.8 110.93 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.774 HD13 ' CE1' ' A' ' 102' ' ' TYR . 5.2 tt -67.03 -44.37 80.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.873 -1.369 . . . . 1.57 110.703 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 mtp180 -58.44 -50.56 73.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.16 -1.588 . . . . 2.34 108.863 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 40.3 t80 -53.71 -14.88 1.01 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.535 -1.353 . . . . 1.39 108.663 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.57 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.5 t80 -76.01 6.32 5.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.291 -0.881 . . . . 1.27 110.568 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 54.4 m-85 -68.89 8.4 0.53 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 1.65 109.125 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 86' ' ' TYR . 90.2 m-20 -74.33 -35.05 63.61 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.086 -1.046 . . . . 2.74 108.569 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -109.17 130.75 55.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.96 -1.126 . . . . 2.52 107.96 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -80.08 86.49 5.53 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.816 -1.177 . . . . 2.8 107.955 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -137.31 -42.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 108.278 -1.008 . . . . 1.28 108.278 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.502 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 7.1 tt -137.45 127.57 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.732 -1.23 . . . . 1.09 110.442 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' A' ' 103' ' ' ARG . 14.4 m-70 -126.46 151.18 48.11 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 108.019 -1.104 . . . . 1.79 108.019 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -90.61 147.82 23.07 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.811 -1.181 . . . . 2.83 110.729 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 97' ' ' GLY . 52.7 m -91.66 127.48 37.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.425 -0.797 . . . . 1.24 109.029 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.21 37.27 0.16 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.082 -1.011 . . . . 2.47 109.031 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -76.95 -78.94 0.71 Allowed Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.846 -1.302 . . . . 2.32 109.846 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.588 ' H ' HG21 ' A' ' 101' ' ' VAL . 83.8 tttt -108.1 -111.77 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -1.184 . . . . 3.6 108.574 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -134.93 -30.53 1.06 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.484 -1.385 . . . . 5.66 110.156 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -107.27 20.71 18.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.655 -0.653 . . . . 1.27 109.863 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.588 HG21 ' H ' ' A' ' 98' ' ' LYS . 1.8 t -87.89 131.79 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.887 -1.133 . . . . 1.14 111.103 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.774 ' CE1' HD13 ' A' ' 83' ' ' LEU . 35.8 m-85 -122.1 155.94 34.64 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.69 -0.856 . . . . 1.23 108.69 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 93' ' ' HIS . 31.4 ttt-85 -153.06 153.09 32.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.296 -0.878 . . . . 2.9 108.976 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.502 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 21.9 m-85 -120.73 147.68 44.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.403 -0.811 . . . . 1.16 109.98 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.096 -0.954 . . . . 1.98 109.509 -179.115 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.131 -0.692 . . . . 2.8 109.131 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.587 ' OE1' ' NE1' ' A' ' 28' ' ' TRP . 45.7 tt0 -90.23 131.51 36.01 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.011 -1.107 . . . . 1.66 108.011 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.53 -38.85 62.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.9 -1.125 . . . . 1.54 112.426 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.587 ' NE1' ' OE1' ' A' ' 26' ' ' GLN . 6.4 p-90 -69.0 -42.97 75.74 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.787 -1.821 . . . . 1.16 110.297 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 13.4 tt0 -58.7 -45.35 89.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.519 -1.363 . . . . 2.34 107.454 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -64.97 -49.84 68.71 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.385 0.612 . . . . 0.86 109.864 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.24 -44.71 78.77 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.427 -0.795 . . . . 1.52 111.154 -178.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.17 -44.22 96.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.497 -1.377 . . . . 1.91 109.649 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -59.71 -49.29 78.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 2.46 108.722 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.06 -30.55 70.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.551 -0.718 . . . . 1.54 109.141 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 8.2 tt -51.63 -40.78 60.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.136 -0.978 . . . . 1.45 109.688 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -131.35 64.45 1.58 Allowed 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.398 -0.814 . . . . 1.68 111.143 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 38' ' ' LYS . 57.3 t0 -135.46 -60.74 0.75 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.832 -1.167 . . . . 3.08 109.773 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.771 ' NZ ' ' H ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -59.94 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.3 -0.875 . . . . 3.33 109.063 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 70.9 m -69.54 -90.04 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.287 -0.883 . . . . 2.66 109.156 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER 160.52 -65.98 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.747 -0.834 . . . . 2.22 108.747 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.72 -9.72 58.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.745 -0.597 . . . . 3.09 111.079 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 t -70.77 -42.99 69.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.886 -1.134 . . . . 2.41 109.788 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.771 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 88.0 m-85 -131.38 3.88 4.29 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.234 -0.916 . . . . 1.56 111.429 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.579 ' CG1' ' H ' ' A' ' 45' ' ' SER . 4.6 tt -165.03 -168.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 119.998 -1.689 . . . . 1.14 110.736 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.579 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 52.8 m -128.8 114.08 16.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.078 -1.014 . . . . 1.71 109.499 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.42 108.29 19.57 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 107.377 -1.342 . . . . 1.46 107.377 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -56.1 146.88 21.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.177 -0.952 . . . . 2.04 109.649 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.65 48.52 0.95 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.511 -1.436 . . . . 1.95 109.511 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -126.19 -108.63 0.31 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.394 -1.062 . . . . 3.56 109.077 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.8 -103.87 0.72 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 108.857 -1.697 . . . . 1.32 108.857 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -139.08 87.97 2.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -1.053 . . . . 1.06 109.158 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -137.33 129.09 28.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.839 -1.171 . . . . 2.5 107.839 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -118.67 126.22 51.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.382 -0.824 . . . . 0.82 109.397 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -116.73 128.31 55.2 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.502 -0.749 . . . . 2.34 109.749 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.0 mp -87.62 99.68 12.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.433 -0.792 . . . . 1.3 110.235 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.4 m -80.32 -62.38 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.658 -0.652 . . . . 1.6 110.349 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 59' ' ' ASP . 57.4 p-10 -142.83 61.29 10.62 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 120.956 -1.09 . . . . 2.54 112.61 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 57' ' ' ASP . 3.9 Cg_exo -62.6 62.23 0.14 Allowed 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 121.424 1.416 . . . . 1.09 109.589 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 57' ' ' ASP . 94.4 m-20 -71.33 -43.54 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 2.89 109.86 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -77.0 -29.37 55.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 3.15 109.485 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.3 t -66.32 -48.58 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 119.804 -0.758 . . . . 0.8 109.856 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.31 80.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.105 -0.997 . . . . 0.84 109.918 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -60.77 -44.02 97.31 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.12 -0.987 . . . . 3.69 108.99 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 64' ' ' ARG . 16.9 ttt-85 -67.76 -35.56 78.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.395 -0.816 . . . . 3.46 109.205 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CZ2' HD21 ' A' ' 79' ' ' LEU . 15.3 t-105 -53.52 -43.04 68.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.793 -0.818 . . . . 1.08 108.793 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' ASN . . . -91.0 -17.03 53.08 Favored Glycine 0 N--CA 1.496 2.686 0 C-N-CA 120.47 -0.871 . . . . 1.09 110.926 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -60.2 -44.15 95.36 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.708 -1.466 . . . . 2.71 107.792 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' NE ' HH12 ' A' ' 64' ' ' ARG . 3.4 mtt-85 -59.92 -35.22 74.43 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.517 -0.919 . . . . 3.88 108.517 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -96.11 9.22 41.57 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 2.56 109.445 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' GLY . 97.9 m-20 57.48 49.89 12.1 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.347 0.594 . . . . 3.49 110.026 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -137.86 69.84 50.68 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.564 -0.71 . . . . 2.35 109.498 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -57.51 -10.5 6.94 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 120.945 1.097 . . . . 2.96 110.232 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -103.74 27.21 7.71 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.203 -0.936 . . . . 5.24 109.349 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.7 tpp -68.13 121.43 16.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.274 -0.891 . . . . 2.41 109.981 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 36.2 t-20 -74.56 145.37 43.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.334 -0.853 . . . . 1.48 111.585 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 64.9 t80 -68.58 -39.05 81.15 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.637 0.732 . . . . 1.07 109.228 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.54 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 9.1 pt-20 -61.46 -32.12 72.1 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.261 -1.015 . . . . 2.53 108.261 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -50.56 -38.33 44.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.115 -0.99 . . . . 4.23 108.412 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.486 HD21 ' CZ2' ' A' ' 65' ' ' TRP . 2.9 mt -67.92 -36.31 79.96 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.061 -1.088 . . . . 1.17 108.061 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -58.94 -40.74 85.54 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.945 -1.102 . . . . 1.39 108.291 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -69.34 -35.51 75.97 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.985 -1.117 . . . . 4.74 107.985 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.17 -53.08 8.04 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.809 -1.316 . . . . 0.8 109.809 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 92' ' ' ILE . 18.0 mt -60.65 -20.59 61.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.173 -1.193 . . . . 1.57 109.408 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.44 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 16.5 ttp180 -62.25 -52.1 65.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 2.34 109.207 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -87.29 -9.71 54.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.731 -0.606 . . . . 1.39 110.343 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.493 ' C ' ' H ' ' A' ' 88' ' ' ASP . 19.2 t80 -72.67 2.23 6.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.013 -1.054 . . . . 1.27 111.291 -177.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 40.5 m-85 -78.11 20.95 0.35 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.354 -1.466 . . . . 1.65 108.002 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' A' ' 86' ' ' TYR . 97.9 m-20 -68.14 -39.9 82.58 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.354 -0.98 . . . . 2.74 108.354 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -103.99 141.34 36.36 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.717 -1.586 . . . . 2.52 106.717 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -76.44 91.13 3.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.77 -1.206 . . . . 2.8 108.526 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.649 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.7 tp -137.42 -62.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.972 -0.455 . . . . 1.28 110.758 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.857 HD12 HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -113.54 124.77 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.136 -0.977 . . . . 1.09 112.283 -178.644 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -115.77 131.57 56.9 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.852 -0.795 . . . . 1.79 108.852 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -68.71 142.67 54.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.707 -0.62 . . . . 2.83 110.284 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 97' ' ' GLY . 91.2 m -91.73 135.65 33.74 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.309 -0.87 . . . . 1.24 110.374 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.52 30.55 0.29 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 2.47 108.922 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -77.8 -90.33 0.33 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.441 -1.464 . . . . 2.32 109.441 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -114.26 -123.62 0.29 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.313 -1.11 . . . . 3.6 109.727 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -116.17 -29.51 6.25 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.088 -1.007 . . . . 5.66 111.529 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -106.97 17.54 22.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.997 -1.065 . . . . 1.27 112.239 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.62 128.91 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 120.529 -1.357 . . . . 1.14 111.469 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -119.55 160.01 23.24 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.54 -1.281 . . . . 1.23 107.54 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -146.71 142.78 28.18 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.082 -1.011 . . . . 2.9 108.893 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.46 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 29.0 m-85 -118.0 136.27 53.63 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.685 -0.858 . . . . 1.16 108.685 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.975 -1.012 . . . . 1.98 109.95 -178.078 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 pt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.308 0.575 . . . . 2.8 110.311 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.555 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 9.2 tm0? -85.31 156.56 20.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.76 . . . . 1.66 109.639 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.8 tm? -61.38 -54.32 45.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.391 -0.818 . . . . 1.54 111.765 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.555 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.9 p-90 -78.88 -37.9 38.98 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.526 -1.359 . . . . 1.16 112.357 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -55.78 -37.73 68.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.526 -1.657 . . . . 2.34 106.526 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -67.26 -55.62 13.23 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.605 0.717 . . . . 0.86 109.153 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.62 -44.57 90.11 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.505 -0.747 . . . . 1.52 110.233 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.12 -48.91 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.823 -1.173 . . . . 1.91 110.24 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 87.4 tt0 -61.44 -43.77 98.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.854 -1.153 . . . . 2.46 108.553 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.27 -30.06 70.89 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.666 0.746 . . . . 1.54 109.053 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.604 HD11 ' CG ' ' A' ' 53' ' ' PHE . 9.4 tp -54.53 -46.81 73.64 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.529 -0.732 . . . . 1.45 109.59 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 p -99.93 48.68 0.93 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.193 -0.942 . . . . 1.68 110.295 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 33' ' ' GLU . 77.5 m-20 -132.21 -114.69 0.23 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.399 -0.813 . . . . 3.08 110.161 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.531 ' CE ' ' H ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -57.8 143.89 40.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.78 -1.193 . . . . 3.33 107.78 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.531 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 66.2 m -67.63 -43.48 80.24 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.389 -1.444 . . . . 2.66 111.318 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' HG22 ' A' ' 44' ' ' ILE . 84.7 m 51.49 16.21 0.41 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.177 -0.952 . . . . 2.22 109.164 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 44' ' ' ILE . 39.0 tt0 -59.93 -37.03 78.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.581 -0.699 . . . . 3.09 111.91 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -73.97 -10.49 59.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.329 -1.482 . . . . 2.41 110.074 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -122.87 7.7 9.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.993 -1.114 . . . . 1.56 107.993 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.707 HD11 HD23 ' A' ' 55' ' ' LEU . 1.6 tt -165.93 176.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.384 -0.969 . . . . 1.14 108.384 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t -115.04 116.29 28.21 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.921 -1.112 . . . . 1.71 110.49 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.51 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.37 101.53 9.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.137 -1.431 . . . . 1.46 107.137 179.007 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 p -67.69 152.26 45.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.637 -1.289 . . . . 2.04 108.802 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 37.8 3.61 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.035 -1.626 . . . . 1.95 109.035 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -116.39 -105.46 0.4 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.537 -0.978 . . . . 3.56 109.482 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.56 -106.24 0.61 Allowed Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.261 -1.535 . . . . 1.32 109.261 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.558 ' HE1' ' CD2' ' A' ' 35' ' ' LEU . 4.2 t-105 -140.11 69.48 1.36 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.255 -1.144 . . . . 1.06 109.148 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -113.09 121.96 46.12 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.32 -0.863 . . . . 2.5 109.039 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.604 ' CG ' HD11 ' A' ' 35' ' ' LEU . 58.7 t80 -130.6 135.07 47.52 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.333 -0.854 . . . . 0.82 109.312 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -129.59 130.41 45.64 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.2 -0.937 . . . . 2.34 110.378 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 44' ' ' ILE . 4.5 mt -87.56 73.39 9.46 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.145 -1.057 . . . . 1.3 108.145 178.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.6 p -76.37 -46.45 27.35 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.528 -0.733 . . . . 1.6 112.269 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -135.27 68.77 68.98 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.805 -1.185 . . . . 2.54 111.684 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -75.11 67.42 6.02 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 121.694 1.596 . . . . 1.09 109.279 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.05 -49.8 47.57 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.598 -1.314 . . . . 2.89 109.463 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -85.57 -33.95 21.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 3.15 109.288 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.15 -48.35 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.221 -0.925 . . . . 0.8 110.241 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.25 91.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 0.84 109.88 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -62.0 -42.52 99.24 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.788 -1.195 . . . . 3.69 109.678 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -69.78 -40.03 76.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.917 -1.115 . . . . 3.46 110.12 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.504 ' CE2' HD21 ' A' ' 79' ' ' LEU . 11.9 t-105 -53.84 -39.35 65.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.287 -0.883 . . . . 1.08 109.35 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.36 -29.47 30.3 Favored Glycine 0 N--CA 1.488 2.122 0 O-C-N 120.919 -1.113 . . . . 1.09 110.69 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -66.77 -34.27 77.45 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.025 -1.28 . . . . 2.71 111.169 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 7.4 mpt_? -61.26 -20.61 63.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.431 -1.418 . . . . 3.88 110.142 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.85 8.11 40.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.96 -1.088 . . . . 2.56 108.368 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 60.73 23.51 13.4 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-O 121.152 0.501 . . . . 3.49 110.529 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.9 mptp? -98.16 160.5 28.14 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.092 -1.077 . . . . 2.35 108.092 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -59.17 -148.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.13 1.22 . . . . 2.96 109.674 178.8 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -92.0 131.97 36.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.596 -1.315 . . . . 5.24 108.554 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.0 mmt -125.33 144.29 50.56 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.624 0.726 . . . . 2.41 110.276 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -66.92 171.35 5.49 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.415 1.103 . . . . 1.48 111.669 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.53 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 52.1 t80 -70.03 -12.38 61.57 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.619 -0.882 . . . . 1.07 108.619 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -60.05 -32.24 70.73 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.347 -0.846 . . . . 2.53 110.783 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.459 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 21.8 pttp -59.38 -33.35 71.09 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.015 -1.053 . . . . 4.23 108.871 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 65' ' ' TRP . 17.5 mt -67.58 -40.7 84.85 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.53 -0.915 . . . . 1.17 108.53 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -65.5 -41.16 93.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.088 -1.008 . . . . 1.39 109.059 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -72.27 -36.06 68.92 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.183 -0.948 . . . . 4.74 110.68 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.14 -46.86 2.74 Favored Glycine 0 N--CA 1.503 3.105 0 C-N-CA 120.015 -1.088 . . . . 0.8 111.771 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.549 HD11 HD12 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -60.61 -43.11 97.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.709 -1.466 . . . . 1.57 108.331 -179.422 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -55.14 -47.29 75.27 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.652 -1.28 . . . . 2.34 110.1 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 89.8 t80 -64.36 -8.91 14.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.969 -1.082 . . . . 1.39 109.41 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.537 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.5 t80 -76.99 10.52 2.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 1.27 110.72 -177.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -76.25 13.38 0.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.704 -1.247 . . . . 1.65 109.237 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.92 -37.55 72.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 2.74 108.879 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.436 ' O ' HG22 ' A' ' 91' ' ' ILE . 9.3 mtpm? -111.86 140.14 46.76 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.718 -1.215 . . . . 2.52 107.718 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 7.8 p30 -76.76 96.16 4.18 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.243 -1.383 . . . . 2.8 108.288 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.936 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.0 OUTLIER -137.89 -87.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.856 -0.527 . . . . 1.28 109.649 -178.693 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.936 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -96.12 142.9 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.631 -1.293 . . . . 1.09 109.441 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.411 ' N ' HD13 ' A' ' 92' ' ' ILE . 6.5 m-70 -131.65 150.17 52.24 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.294 -0.879 . . . . 1.79 109.266 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -102.12 133.45 46.94 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.789 0.804 . . . . 2.83 108.92 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.528 ' OG1' ' NE ' ' A' ' 103' ' ' ARG . 99.8 m -89.13 141.22 28.69 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 121.336 -0.852 . . . . 1.24 110.09 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.07 56.71 3.84 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.395 -1.441 . . . . 2.47 107.787 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.435 ' H ' HG21 ' A' ' 101' ' ' VAL . . . -81.61 -100.9 0.39 Allowed Glycine 0 N--CA 1.492 2.42 0 C-N-CA 120.165 -1.017 . . . . 2.32 111.031 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -106.96 -43.62 4.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.518 -0.989 . . . . 3.6 110.211 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -171.79 -64.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.09 -1.044 . . . . 5.66 111.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -104.38 40.16 1.53 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.635 -0.666 . . . . 1.27 111.03 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.435 HG21 ' H ' ' A' ' 97' ' ' GLY . 5.5 m -88.06 125.02 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.561 -1.337 . . . . 1.14 109.434 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.53 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 48.6 m-85 -118.75 150.03 40.48 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.145 -0.972 . . . . 1.23 109.225 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.528 ' NE ' ' OG1' ' A' ' 95' ' ' THR . 38.6 mtm180 -149.42 153.66 37.68 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.1 -0.704 . . . . 2.9 109.1 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 104' ' ' PHE . 23.5 m-85 -126.08 163.38 23.21 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.168 -0.679 . . . . 1.16 109.168 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.313 -0.851 . . . . 1.98 109.588 -179.816 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.509 HD12 ' HB2' ' A' ' 30' ' ' PHE . 17.3 pt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.465 0.65 . . . . 2.8 109.692 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.591 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.6 tm0? -87.7 152.06 22.44 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.463 -0.773 . . . . 1.66 108.979 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.685 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.5 tt -52.17 -53.76 39.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.339 -0.851 . . . . 1.54 112.085 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.528 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.1 p-90 -77.15 -30.58 55.12 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.202 -1.561 . . . . 1.16 110.259 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -58.18 -43.6 87.57 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.333 -1.358 . . . . 2.34 107.333 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.509 ' HB2' HD12 ' A' ' 25' ' ' ILE . 40.1 t80 -68.31 -49.22 61.91 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.389 0.614 . . . . 0.86 110.082 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.94 -35.35 80.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.884 -1.135 . . . . 1.52 109.577 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.34 -48.43 70.27 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.831 -1.168 . . . . 1.91 110.563 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -66.81 -37.99 85.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 119.975 -1.703 . . . . 2.46 108.578 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.662 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.5 tm? -64.78 -39.35 93.45 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.82 0.819 . . . . 1.54 108.968 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' A' ' 53' ' ' PHE . 55.2 tp -48.58 -43.39 35.8 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.734 -0.604 . . . . 1.45 109.491 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -123.02 69.77 1.0 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.595 -0.691 . . . . 1.68 110.07 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -126.34 -80.61 0.61 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.349 -0.845 . . . . 3.08 110.342 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' H ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -73.96 -167.31 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.244 -0.91 . . . . 3.33 110.23 -178.834 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 47.2 t -61.24 -37.32 82.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.914 -1.117 . . . . 2.66 110.665 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 79.99 -50.48 0.37 Allowed 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.701 0.762 . . . . 2.22 109.398 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.84 -32.58 60.7 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.412 -0.805 . . . . 3.09 111.066 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -27.08 60.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.754 -1.217 . . . . 2.41 111.477 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.06 -7.21 7.75 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 121.131 -0.981 . . . . 1.56 111.305 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt -162.78 -168.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.766 -1.209 . . . . 1.14 108.621 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 44' ' ' ILE . 6.3 m -139.89 128.96 23.64 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.535 -1.353 . . . . 1.71 111.353 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -110.86 126.35 54.58 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.755 -1.202 . . . . 1.46 107.755 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 48' ' ' GLY . 2.1 t -53.53 -170.52 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.724 -1.235 . . . . 2.04 110.498 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 47' ' ' THR . . . -58.38 -120.24 0.01 OUTLIER Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.611 -0.996 . . . . 1.95 110.611 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -108.49 12.91 25.79 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.528 -0.983 . . . . 3.56 111.579 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 -115.75 0.57 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.669 -1.372 . . . . 1.32 109.669 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.466 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 50.9 t-105 -163.77 33.71 0.08 Allowed 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.187 -1.184 . . . . 1.06 109.91 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -100.22 131.2 46.3 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 106.311 -1.737 . . . . 2.5 106.311 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.454 ' HZ ' HD13 ' A' ' 44' ' ' ILE . 49.8 t80 -120.12 137.05 54.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.487 -0.758 . . . . 0.82 111.308 -177.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.67 139.89 51.28 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.551 0.691 . . . . 2.34 109.205 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.529 ' HG ' HD11 ' A' ' 44' ' ' ILE . 9.2 mp -91.93 100.98 13.55 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.295 -0.878 . . . . 1.3 110.379 -178.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 58.5 m -74.7 -55.4 5.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.453 -1.404 . . . . 1.6 108.863 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 56' ' ' SER . 98.7 m-20 -138.37 81.78 24.55 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.364 -0.835 . . . . 2.54 110.453 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -74.85 28.32 0.36 Allowed 'Trans proline' 0 N--CA 1.484 0.944 0 C-N-CA 121.747 1.631 . . . . 1.09 110.836 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -70.15 -38.33 75.47 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.723 -1.235 . . . . 2.89 109.423 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -73.72 -38.91 64.66 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.439 -0.788 . . . . 3.15 108.947 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.565 HG22 ' NH2' ' A' ' 64' ' ' ARG . 60.3 t -65.24 -48.16 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.267 -0.896 . . . . 0.8 109.4 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.42 86.64 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.134 -1.061 . . . . 0.84 108.134 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -62.76 -44.67 95.58 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.596 0.713 . . . . 3.69 109.226 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.565 ' NH2' HG22 ' A' ' 61' ' ' VAL . 88.5 mtm180 -74.06 -34.78 64.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 3.46 109.749 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.87 -42.55 80.0 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.839 -0.801 . . . . 1.08 108.839 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.05 -16.26 67.8 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.412 -1.075 . . . . 1.09 110.412 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -61.94 -41.14 97.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.774 -1.427 . . . . 2.71 109.669 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -60.48 -36.26 77.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.162 -0.961 . . . . 3.88 109.404 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -91.9 14.09 16.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.42 -0.8 . . . . 2.56 110.421 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 m120 57.24 46.42 18.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.216 -0.927 . . . . 3.49 109.778 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.664 ' HB2' ' HZ2' ' A' ' 71' ' ' LYS . 9.7 mtmp? -147.24 70.75 11.93 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 2.35 109.338 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -58.16 -8.97 5.55 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 121.407 1.405 . . . . 2.96 110.122 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -99.5 29.12 4.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.395 -0.816 . . . . 5.24 109.02 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.9 tpp -68.93 113.52 6.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.061 -1.025 . . . . 2.41 109.03 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.655 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 10.6 t-20 -69.2 151.32 46.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.366 -0.834 . . . . 1.48 110.021 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' A' ' 76' ' ' TYR . 25.9 t80 -67.23 -25.93 66.34 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.366 -0.834 . . . . 1.07 110.503 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.655 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 34.3 tt0 -58.72 -37.6 76.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.501 -1.375 . . . . 2.53 108.939 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.477 ' N ' ' CD ' ' A' ' 78' ' ' LYS . 11.2 mptt -54.76 -35.67 64.02 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.812 -1.155 . . . . 4.23 107.889 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.26 -31.85 68.0 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.577 -0.898 . . . . 1.17 108.577 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.6 m -57.25 -46.16 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.956 -1.09 . . . . 1.39 108.912 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.482 HH11 ' HG2' ' A' ' 81' ' ' ARG . 16.5 ttt-85 -85.96 -37.83 18.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.276 -0.89 . . . . 4.74 109.706 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.55 -46.6 94.08 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.58 -1.408 . . . . 0.8 109.58 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -39.28 69.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -1.115 . . . . 1.57 108.688 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.472 HH11 ' HB3' ' A' ' 84' ' ' ARG . 1.3 ttt-85 -59.59 -43.51 93.65 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.77 -1.206 . . . . 2.34 110.154 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -72.98 -17.14 61.49 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.137 -0.977 . . . . 1.39 109.236 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.499 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 9.3 t80 -75.07 9.86 1.77 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.524 -0.735 . . . . 1.27 111.817 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.4 m-85 -85.31 23.4 1.31 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.774 -1.204 . . . . 1.65 109.316 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.08 -35.75 66.69 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.74 108.091 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 91' ' ' ILE . 9.9 mtpm? -110.3 145.43 37.45 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.734 -1.58 . . . . 2.52 106.734 178.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -77.82 96.6 4.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.918 -1.114 . . . . 2.8 108.086 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.904 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -138.69 -89.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 108.638 -0.875 . . . . 1.28 108.638 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.904 ' H ' HG23 ' A' ' 91' ' ' ILE . 5.9 tt -93.83 129.66 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 120.589 -1.319 . . . . 1.09 110.962 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -121.39 137.7 54.59 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.187 -0.672 . . . . 1.79 109.187 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.582 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 23.7 pttm -69.69 139.85 53.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.785 -1.197 . . . . 2.83 109.753 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.5 m -92.64 137.55 32.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.399 -0.813 . . . . 1.24 110.271 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.16 31.53 0.5 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 2.47 109.561 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.82 -79.13 0.75 Allowed Glycine 0 N--CA 1.49 2.258 0 C-N-CA 119.713 -1.232 . . . . 2.32 110.049 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -108.11 -81.7 0.56 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.333 -1.098 . . . . 3.6 109.263 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -170.51 -40.1 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.781 -1.199 . . . . 5.66 109.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -99.88 21.26 12.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.318 -0.864 . . . . 1.27 108.702 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 101' ' ' VAL . 11.9 m -92.98 133.98 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.124 -0.985 . . . . 1.14 111.399 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -121.89 158.04 29.86 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.035 -1.098 . . . . 1.23 108.035 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -147.69 158.5 44.04 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.912 -1.144 . . . . 2.9 107.912 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.709 ' CE2' HD12 ' A' ' 92' ' ' ILE . 83.2 m-85 -128.66 158.5 38.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.251 -0.905 . . . . 1.16 109.554 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 118.192 -0.908 . . . . 1.98 108.722 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.266 0.555 . . . . 2.8 110.421 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.64 127.75 36.39 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.203 -0.936 . . . . 1.66 109.026 179.137 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.564 HD13 ' C ' ' A' ' 27' ' ' LEU . 1.4 tm? -53.75 -59.28 4.82 Favored 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 113.01 0.744 . . . . 1.54 113.01 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 51.7 p-90 -68.23 -34.27 75.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.546 -1.347 . . . . 1.16 110.903 -178.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.464 ' H ' ' HG3' ' A' ' 26' ' ' GLN . 18.8 tt0 -59.97 -43.81 94.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.613 -1.304 . . . . 2.34 107.906 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -67.0 -48.82 67.25 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.881 -0.512 . . . . 0.86 110.055 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.26 -49.23 78.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.268 -0.895 . . . . 1.52 109.393 -178.535 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -66.29 -32.96 74.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 1.91 109.235 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.89 -41.08 90.82 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.571 -1.27 . . . . 2.46 107.571 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.81 -36.18 78.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 1.54 109.357 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' CB ' ' HE1' ' A' ' 46' ' ' TRP . 7.5 mp -65.72 -25.24 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.012 -1.055 . . . . 1.45 109.279 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.8 p -121.6 62.58 0.92 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.246 -0.909 . . . . 1.68 110.757 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -132.57 -74.34 0.5 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.275 -1.009 . . . . 3.08 108.275 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.585 ' H ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -118.0 -163.52 0.95 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.723 -0.61 . . . . 3.33 109.41 179.332 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.55 ' C ' ' H ' ' A' ' 41' ' ' GLN . 73.6 m -70.54 -47.06 62.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.053 . . . . 2.66 110.528 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 44' ' ' ILE . 6.8 t 57.6 0.36 0.1 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.113 -0.992 . . . . 2.22 108.786 -178.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.55 ' H ' ' C ' ' A' ' 39' ' ' SER . 1.5 tm0? -60.67 -39.99 90.46 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.155 -0.966 . . . . 3.09 109.839 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -77.93 -11.9 59.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.638 -0.664 . . . . 2.41 109.537 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -111.78 -12.83 13.79 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.728 -0.607 . . . . 1.56 110.068 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.592 HG22 ' SG ' ' A' ' 40' ' ' CYS . 9.3 tt -165.65 -176.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.863 -1.148 . . . . 1.14 108.227 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -114.24 107.76 16.03 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.017 -1.052 . . . . 1.71 110.682 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.48 ' HE1' ' CB ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.58 112.72 25.83 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 106.967 -1.494 . . . . 1.46 106.967 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.828 HG21 ' H ' ' A' ' 52' ' ' GLU . 11.2 t -49.53 -173.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.814 0.816 . . . . 2.04 111.413 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.3 -108.29 0.06 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.57 -1.012 . . . . 1.95 110.57 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.19 12.38 24.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.404 -1.056 . . . . 3.56 111.036 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.75 -116.93 0.9 Allowed Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.861 -2.096 . . . . 1.32 107.861 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.46 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 27.7 t-105 -170.31 37.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -1.104 . . . . 1.06 109.686 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.828 ' H ' HG21 ' A' ' 47' ' ' THR . 79.9 mm-40 -96.42 104.68 16.67 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.923 -1.51 . . . . 2.5 106.923 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 40.2 t80 -98.98 119.18 37.33 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.599 -0.688 . . . . 0.82 109.71 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -116.61 134.99 54.18 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.558 0.694 . . . . 2.34 109.575 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HG ' HD11 ' A' ' 44' ' ' ILE . 10.5 mp -90.4 104.49 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.415 -0.803 . . . . 1.3 110.42 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.3 m -76.47 -68.32 0.6 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.265 -0.897 . . . . 1.6 108.871 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' ASP . 65.2 t0 -146.58 75.31 12.3 Favored Pre-proline 0 N--CA 1.5 2.042 0 O-C-N 120.936 -1.103 . . . . 2.54 110.909 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.55 55.75 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.371 1.381 . . . . 1.09 109.492 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 37.2 p-10 -71.39 -37.15 71.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.794 -1.191 . . . . 2.89 110.229 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 79.4 mm-40 -84.91 -34.4 22.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.961 -1.087 . . . . 3.15 109.443 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.32 -43.89 94.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.32 -0.862 . . . . 0.8 109.46 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.63 87.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.303 -0.873 . . . . 0.84 109.259 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -59.6 -44.23 93.47 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.464 -0.939 . . . . 3.69 108.464 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.443 HH11 ' HG3' ' A' ' 64' ' ' ARG . 21.7 ttm-85 -67.13 -33.31 75.16 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.829 -0.804 . . . . 3.46 108.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CD1' HD21 ' A' ' 79' ' ' LEU . 6.9 t-105 -59.82 -43.2 94.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.518 -0.739 . . . . 1.08 109.089 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.33 -25.43 28.48 Favored Glycine 0 N--CA 1.496 2.665 0 C-N-CA 120.464 -0.874 . . . . 1.09 111.113 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -63.41 -41.52 98.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.869 -1.371 . . . . 2.71 109.589 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.53 -23.23 62.66 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.225 -0.922 . . . . 3.88 108.644 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -90.81 4.6 51.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.494 -0.754 . . . . 2.56 109.752 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.86 55.27 7.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.908 . . . . 3.49 110.227 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -127.95 150.06 72.53 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.271 -1.011 . . . . 2.35 108.271 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -48.72 -79.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.112 1.208 . . . . 2.96 110.403 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -134.69 149.33 50.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.201 -0.937 . . . . 5.24 109.9 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 ttm -126.26 115.29 19.48 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.374 -0.602 . . . . 2.41 109.374 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -71.07 159.81 34.04 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 1.48 109.34 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.543 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 57.9 t80 -66.71 -20.53 65.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.689 -0.856 . . . . 1.07 108.689 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.904 -1.122 . . . . 2.53 110.401 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -59.35 -35.33 73.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 4.23 109.067 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 65' ' ' TRP . 1.3 mm? -63.24 -41.2 99.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.604 -0.888 . . . . 1.17 108.604 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.3 m -59.19 -43.25 92.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.039 -1.038 . . . . 1.39 109.996 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.57 -40.08 84.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.728 -1.233 . . . . 4.74 110.113 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.53 -45.75 6.35 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.01 -1.091 . . . . 0.8 110.742 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -63.77 -43.96 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.213 -1.169 . . . . 1.57 108.869 -179.328 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -58.8 -44.29 90.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 2.34 109.822 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 55.0 t80 -76.38 -10.99 59.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.1 -1.0 . . . . 1.39 109.129 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 31.6 t80 -72.28 3.05 5.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.248 -0.907 . . . . 1.27 111.53 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.8 m-85 -75.96 66.99 2.26 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.629 -1.294 . . . . 1.65 108.112 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.91 -55.78 5.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.241 -0.912 . . . . 2.74 110.758 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.564 ' CG ' ' H ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -117.14 -90.39 0.56 Allowed 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.671 0.748 . . . . 2.52 109.302 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.564 ' H ' ' CG ' ' A' ' 89' ' ' LYS . 76.9 m-20 -158.72 90.36 1.0 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.119 -0.697 . . . . 2.8 109.119 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.982 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -136.56 -89.38 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.89 . . . . 1.28 111.345 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.982 ' H ' HG23 ' A' ' 91' ' ' ILE . 6.7 tt -96.83 127.45 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.873 -1.142 . . . . 1.09 109.24 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -120.06 159.97 23.73 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.644 0.735 . . . . 1.79 109.39 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.536 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 21.8 pttp -97.04 140.0 32.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.471 -0.768 . . . . 2.83 109.916 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 97' ' ' GLY . 85.5 m -90.97 133.8 34.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.444 -0.785 . . . . 1.24 109.52 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.53 18.6 0.55 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 2.47 110.473 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.592 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.25 -81.68 0.6 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.55 -1.42 . . . . 2.32 109.55 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.0 tttm -105.96 -161.83 0.83 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.287 -1.125 . . . . 3.6 108.815 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.423 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 97.9 mtt180 -98.07 -23.85 15.58 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.042 -1.036 . . . . 5.66 110.909 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.2 20.28 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.106 -0.996 . . . . 1.27 110.447 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.441 HG21 ' H ' ' A' ' 98' ' ' LYS . 11.5 m -92.34 128.15 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.785 -1.197 . . . . 1.14 111.644 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 52.7 m-85 -125.27 155.79 39.6 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.567 -0.901 . . . . 1.23 108.567 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -150.13 158.93 44.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.912 . . . . 2.9 108.578 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 92' ' ' ILE . 60.2 m-85 -130.82 157.96 41.47 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.446 -0.784 . . . . 1.16 109.793 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.444 HG23 ' OXT' ' A' ' 105' ' ' VAL . 4.9 m . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 118.195 -0.907 . . . . 1.98 109.756 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.641 HD12 ' HB2' ' A' ' 30' ' ' PHE . 47.4 pt . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.763 0.792 . . . . 2.8 111.102 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 11.5 tm0? -88.04 153.56 21.18 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.044 -1.095 . . . . 1.66 108.044 179.191 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.565 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 9.8 tt -59.38 -55.46 34.38 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.661 -1.275 . . . . 1.54 112.016 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 66.0 p-90 -77.62 -31.77 53.06 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.438 -1.414 . . . . 1.16 111.299 -178.423 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -58.98 -39.97 83.38 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.604 -1.628 . . . . 2.34 106.604 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.641 ' HB2' HD12 ' A' ' 25' ' ' ILE . 54.0 t80 -68.22 -51.7 42.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.244 -0.65 . . . . 0.86 109.244 178.131 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -58.86 -50.48 73.85 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.261 -1.385 . . . . 1.52 107.261 179.669 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.94 -46.45 89.36 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.617 -0.677 . . . . 1.91 110.365 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.44 -41.65 98.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.95 -1.093 . . . . 2.46 108.441 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -69.8 -41.62 74.8 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.025 -1.102 . . . . 1.54 108.025 179.394 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.04 -38.17 70.23 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 1.45 109.384 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -93.14 49.02 1.37 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.42 -0.8 . . . . 1.68 110.991 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -106.44 150.53 25.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.152 -0.968 . . . . 3.08 108.961 178.522 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.5 tppp? -70.23 -15.74 62.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.46 -0.775 . . . . 3.33 110.955 -179.168 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -72.05 62.31 0.46 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.358 -1.464 . . . . 2.66 107.7 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 41.4 t -82.0 -72.22 0.45 Allowed 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.698 0.761 . . . . 2.22 111.196 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' A' ' 42' ' ' SER . 35.3 mt-30 -66.66 150.47 49.0 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.638 -0.664 . . . . 3.09 110.888 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.558 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 5.5 p 84.65 -26.13 0.11 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.607 -0.516 . . . . 2.41 109.607 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 95.1 m-85 -123.67 -29.89 3.66 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.545 -0.722 . . . . 1.56 110.31 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.611 ' CG1' ' H ' ' A' ' 45' ' ' SER . 5.2 tt -165.76 -169.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.99 -1.069 . . . . 1.14 109.927 -178.737 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.611 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 15.2 t -137.4 124.79 21.93 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.012 -1.055 . . . . 1.71 111.177 -178.25 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.402 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -111.2 114.0 26.9 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 107.526 -1.287 . . . . 1.46 107.526 178.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.2 p -64.97 151.77 45.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.869 -1.144 . . . . 2.04 109.676 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.36 37.57 3.75 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.17 -1.572 . . . . 1.95 109.17 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -108.07 -123.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.442 -0.948 . . . . 3.56 108.442 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.31 0.35 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.277 -1.529 . . . . 1.32 109.277 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.43 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 56.5 t-105 -141.8 78.14 1.62 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.227 -1.16 . . . . 1.06 108.725 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -125.58 123.92 40.1 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.699 -1.223 . . . . 2.5 107.699 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -113.94 127.6 56.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.41 -0.806 . . . . 0.82 109.441 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -115.37 134.26 55.27 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.785 0.802 . . . . 2.34 109.979 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.84 115.75 27.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.632 -0.668 . . . . 1.3 109.377 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 41.1 p -79.17 -72.27 0.4 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.025 -1.047 . . . . 1.6 110.049 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 56' ' ' SER . 40.5 t0 -144.44 69.77 15.6 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 120.777 -1.202 . . . . 2.54 110.37 -179.772 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -62.62 56.09 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.663 1.576 . . . . 1.09 111.023 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 91.2 m-20 -74.3 -33.09 63.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.179 -1.575 . . . . 2.89 109.861 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -85.35 -34.36 21.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.975 -1.078 . . . . 3.15 109.222 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.65 -43.04 90.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.086 -0.709 . . . . 0.8 109.086 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.85 95.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 0.84 109.836 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 63' ' ' ARG . 16.5 mtt-85 -64.08 -42.68 96.87 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.136 -1.026 . . . . 3.69 108.786 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -66.14 -36.43 83.1 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.711 -0.796 . . . . 3.46 109.145 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -60.0 -40.86 90.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.218 -0.926 . . . . 1.08 109.425 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.95 -29.8 19.48 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.383 -1.087 . . . . 1.09 110.383 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -61.62 -43.92 97.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -1.217 . . . . 2.71 109.719 -179.086 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 1.2 mmp_? -62.25 -10.73 11.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.443 -0.786 . . . . 3.88 109.709 179.619 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -95.78 13.69 25.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.215 -0.928 . . . . 2.56 108.866 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 57.12 49.78 13.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.134 -0.979 . . . . 3.49 109.543 -179.51 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 72' ' ' PRO . 13.3 mptt -130.51 161.3 61.58 Favored Pre-proline 0 N--CA 1.503 2.202 0 N-CA-C 108.238 -1.023 . . . . 2.35 108.238 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.1 Cg_endo -59.26 -150.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.905 0 N-CA-C 108.442 -1.407 . . . . 2.96 108.442 178.709 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -86.94 130.17 34.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.521 -1.362 . . . . 5.24 108.972 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.01 136.95 52.56 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.536 0.684 . . . . 2.41 109.698 -179.135 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -74.6 174.01 9.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.761 . . . . 1.48 110.613 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.04 -17.44 63.26 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.431 0.634 . . . . 1.07 109.701 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.91 -36.4 74.65 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.923 -1.11 . . . . 2.53 110.005 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -31.44 68.65 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.671 -1.268 . . . . 4.23 109.652 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.19 -48.69 67.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.814 -1.179 . . . . 1.17 109.302 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 99.6 p -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.914 -1.116 . . . . 1.39 109.056 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.588 ' O ' ' NH1' ' A' ' 84' ' ' ARG . 82.8 mtm180 -63.41 -41.41 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 4.74 109.574 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.4 -43.41 6.57 Favored Glycine 0 N--CA 1.496 2.644 0 O-C-N 120.927 -1.108 . . . . 0.8 111.604 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.623 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -61.03 -49.75 76.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.849 -1.383 . . . . 1.57 109.819 -178.608 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.623 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -55.24 -45.15 76.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.436 -1.415 . . . . 2.34 109.026 -178.799 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.435 ' N ' ' CG ' ' A' ' 84' ' ' ARG . 75.6 t80 -58.63 -18.44 30.51 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.787 -1.196 . . . . 1.39 108.645 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -75.41 63.64 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.286 -0.884 . . . . 1.27 110.428 -179.136 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.623 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 39.8 m-85 -117.43 6.74 12.64 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.281 -1.007 . . . . 1.65 108.281 177.568 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -70.56 -42.95 70.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 2.74 109.175 -179.32 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -104.51 134.23 48.04 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.14 -1.059 . . . . 2.52 108.14 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -80.89 86.69 6.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.74 -1.208 . . . . 2.8 107.74 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.525 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -136.01 -40.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 107.946 -1.131 . . . . 1.28 107.946 -178.882 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.416 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 10.5 tt -140.12 133.54 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.465 -0.772 . . . . 1.09 109.354 179.384 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -135.43 156.0 49.62 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.716 -0.846 . . . . 1.79 108.716 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -77.09 150.57 35.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.328 -0.857 . . . . 2.83 110.31 -179.264 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 97' ' ' GLY . 38.7 m -86.95 143.7 27.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 1.24 108.383 179.184 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.78 10.52 0.67 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.367 -0.833 . . . . 2.47 109.854 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -81.84 -103.96 0.39 Allowed Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.116 -1.594 . . . . 2.32 109.116 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.47 ' H ' HG21 ' A' ' 101' ' ' VAL . 61.1 mttm -102.08 176.46 5.19 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.477 -1.014 . . . . 3.6 109.208 179.799 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -81.92 -9.08 59.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.482 -0.761 . . . . 5.66 110.157 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -98.53 -9.0 25.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.95 . . . . 1.27 110.004 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.47 HG21 ' H ' ' A' ' 98' ' ' LYS . 10.5 m -95.48 137.28 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.692 -1.255 . . . . 1.14 111.292 -179.059 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -114.61 170.8 8.05 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.495 -0.753 . . . . 1.23 109.676 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.414 ' HD3' ' H ' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -153.05 156.81 39.46 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.953 -1.128 . . . . 2.9 107.953 -179.803 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.43 ' HB2' ' HE1' ' A' ' 51' ' ' TRP . 31.4 m-85 -130.66 163.05 28.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.199 -0.938 . . . . 1.16 110.67 -179.235 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.097 -0.954 . . . . 1.98 108.882 179.93 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.446 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.3 tt . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 108.533 -0.914 . . . . 2.8 108.533 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.809 ' NE2' ' H ' ' A' ' 29' ' ' GLN . 1.5 tm0? -80.47 158.09 25.99 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.237 -0.915 . . . . 1.66 110.09 -179.371 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.547 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -53.6 -78.06 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 113.212 0.819 . . . . 1.54 113.212 -176.47 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.665 ' CZ3' ' NE2' ' A' ' 29' ' ' GLN . 66.2 p-90 -56.65 -25.42 53.45 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.203 -1.561 . . . . 1.16 111.004 -176.785 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.809 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 25.2 mm-40 -64.01 -40.56 96.63 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.322 -1.362 . . . . 2.34 107.322 177.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 25.9 t80 -65.72 -52.63 49.72 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.527 -0.733 . . . . 0.86 109.371 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.81 -44.48 89.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 1.52 110.618 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.75 -43.15 89.78 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.149 -0.969 . . . . 1.91 110.536 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.2 -45.73 90.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.971 -1.08 . . . . 2.46 109.142 -178.771 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -67.59 -31.01 70.77 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.605 -0.887 . . . . 1.54 108.605 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.64 -40.22 86.94 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.246 -0.909 . . . . 1.45 110.609 -178.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -110.16 65.4 0.62 Allowed 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.317 -0.864 . . . . 1.68 109.855 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -135.81 -125.5 0.15 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.608 0.718 . . . . 3.08 109.49 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 169.76 0.48 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.33 -0.857 . . . . 3.33 110.145 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -75.5 104.88 6.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 2.66 107.715 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.6 t -86.25 0.88 52.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.22 109.561 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.2 -30.45 64.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.054 -1.029 . . . . 3.09 109.771 -179.534 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -80.38 -15.02 57.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.112 -0.992 . . . . 2.41 109.158 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -114.68 -10.35 12.47 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.219 -0.926 . . . . 1.56 109.495 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.645 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 7.3 tt -161.6 -171.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.142 -0.973 . . . . 1.14 109.197 -179.315 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.452 ' H ' HG12 ' A' ' 44' ' ' ILE . 46.9 t -113.98 111.89 22.4 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.027 -1.045 . . . . 1.71 110.062 -179.439 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.99 109.73 19.33 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.587 -1.264 . . . . 1.46 107.587 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 11.4 t -52.91 -177.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.837 -1.165 . . . . 2.04 110.891 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -56.93 -117.45 0.01 OUTLIER Glycine 0 N--CA 1.495 2.63 0 O-C-N 121.336 -0.853 . . . . 1.95 111.138 -179.184 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -109.84 17.29 21.34 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.946 -1.326 . . . . 3.56 111.082 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.18 -115.61 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.716 -1.753 . . . . 1.32 108.716 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -168.06 61.77 0.07 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.179 -1.189 . . . . 1.06 109.611 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.471 ' H ' ' CG2' ' A' ' 47' ' ' THR . 16.8 tp10 -122.41 102.48 8.12 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.409 -1.7 . . . . 2.5 106.409 178.389 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.645 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 29.5 t80 -106.15 119.52 39.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.488 -0.758 . . . . 0.82 110.192 -177.296 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -114.97 130.19 56.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.868 -0.79 . . . . 2.34 108.868 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.2 mp -87.64 97.96 11.16 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.543 -0.723 . . . . 1.3 110.414 -178.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 46.4 t -77.64 -60.44 2.37 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.58 -0.7 . . . . 1.6 110.42 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 56' ' ' SER . 94.9 m-20 -139.38 77.61 29.1 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.133 -0.979 . . . . 2.54 111.375 -178.549 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -76.15 57.11 5.15 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 121.684 1.589 . . . . 1.09 108.329 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.77 -41.29 68.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -0.83 . . . . 2.89 109.962 -179.231 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -87.08 -30.59 21.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 3.15 109.455 -178.879 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -68.31 -54.03 24.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.35 -0.844 . . . . 0.8 110.154 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.53 97.23 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 0.84 110.092 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.548 ' CG ' HH11 ' A' ' 63' ' ' ARG . 0.6 OUTLIER -59.4 -44.01 92.9 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.81 -1.181 . . . . 3.69 108.61 -179.799 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -74.29 -31.81 62.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.333 -0.855 . . . . 3.46 109.453 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.439 ' CD1' HD21 ' A' ' 79' ' ' LEU . 20.1 t-105 -59.94 -35.16 74.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.054 -1.029 . . . . 1.08 110.076 -179.305 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.42 -25.02 44.78 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.748 -1.341 . . . . 1.09 109.748 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -60.01 -36.06 76.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.028 -1.277 . . . . 2.71 109.606 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -58.4 -31.77 68.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.085 -1.009 . . . . 3.88 109.617 -179.435 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -98.7 7.13 46.45 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.25 -0.906 . . . . 2.56 109.534 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.99 37.86 11.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.475 -0.766 . . . . 3.49 109.094 -179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -140.22 69.01 34.1 Favored Pre-proline 0 N--CA 1.497 1.902 0 N-CA-C 108.952 -0.758 . . . . 2.35 108.952 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -56.37 -9.3 3.43 Favored 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 121.854 1.703 . . . . 2.96 110.437 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -90.4 24.01 2.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.864 . . . . 5.24 109.458 -179.365 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.4 mmm -81.36 119.05 23.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.135 -0.978 . . . . 2.41 109.433 179.586 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 21.8 p30 -72.81 169.79 16.02 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.954 0.883 . . . . 1.48 110.803 -179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -70.84 -29.62 65.8 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.653 0.74 . . . . 1.07 109.087 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.04 -30.87 69.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.32 -0.862 . . . . 2.53 110.255 -178.862 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.486 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 60.4 mttp -58.96 -37.3 76.46 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.881 -1.137 . . . . 4.23 109.204 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 65' ' ' TRP . 2.9 mm? -66.29 -49.23 67.76 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.012 -1.055 . . . . 1.17 109.057 179.079 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -59.47 -43.74 93.19 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.029 -1.1 . . . . 1.39 108.029 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -68.96 -43.31 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.208 -0.932 . . . . 4.74 108.616 178.378 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . -67.8 -46.81 64.9 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 110.059 -1.217 . . . . 0.8 110.059 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.689 HD22 HD12 ' A' ' 92' ' ' ILE . 7.6 mt -67.73 -30.39 69.86 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.747 -1.443 . . . . 1.57 109.887 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -50.18 -50.02 50.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.984 -1.072 . . . . 2.34 109.524 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -73.07 -22.55 60.57 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.45 -0.781 . . . . 1.39 109.877 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.467 ' HB3' HD23 ' A' ' 83' ' ' LEU . 10.5 t80 -75.98 70.05 2.65 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.503 -0.748 . . . . 1.27 109.836 -178.532 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 16.8 m-85 -140.55 22.34 2.34 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.91 -0.774 . . . . 1.65 108.91 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -78.78 -37.97 39.68 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.115 -1.068 . . . . 2.74 108.115 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -103.85 141.7 35.68 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.53 -1.285 . . . . 2.52 107.53 178.354 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -80.15 92.24 5.65 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.607 -1.257 . . . . 2.8 107.607 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.452 ' O ' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -139.77 -51.98 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 115.859 -0.609 . . . . 1.28 109.907 -178.181 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.691 HD13 ' C ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -129.88 128.88 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.033 -1.042 . . . . 1.09 109.862 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.586 ' N ' HD13 ' A' ' 92' ' ' ILE . 13.6 m-70 -128.94 160.17 33.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.312 -0.867 . . . . 1.79 109.478 -179.071 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.553 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 27.7 ttpp -94.75 139.38 31.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.441 -0.787 . . . . 2.83 109.594 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 97' ' ' GLY . 32.1 m -87.56 141.61 28.49 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.225 -0.922 . . . . 1.24 110.129 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.35 19.71 0.1 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.526 -0.733 . . . . 2.47 111.234 -178.723 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 95' ' ' THR . . . -79.27 -94.89 0.31 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 108.75 -1.74 . . . . 2.32 108.75 179.171 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.705 ' H ' HG21 ' A' ' 101' ' ' VAL . 42.0 mmtm -107.53 -179.16 3.83 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.31 -1.112 . . . . 3.6 108.312 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -80.23 -8.88 59.65 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.399 -0.813 . . . . 5.66 110.836 -178.675 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -106.86 11.24 30.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.085 -1.009 . . . . 1.27 110.682 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.705 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.2 t -94.92 132.51 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.892 -1.13 . . . . 1.14 111.218 -177.581 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CE1' HD13 ' A' ' 83' ' ' LEU . 30.6 m-85 -123.01 157.48 32.63 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.493 -0.928 . . . . 1.23 108.493 178.721 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -146.82 158.34 43.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.021 -1.049 . . . . 2.9 109.226 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.504 ' CE2' ' CG1' ' A' ' 92' ' ' ILE . 38.0 m-85 -134.36 159.94 39.47 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.584 -0.698 . . . . 1.16 110.714 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 117.828 -1.082 . . . . 1.98 109.943 -179.202 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 108.78 -0.822 . . . . 2.8 108.78 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.534 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 2.6 tm0? -76.29 146.34 38.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.82 -1.175 . . . . 1.66 108.181 -179.405 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.651 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.7 tt -75.67 -67.15 0.7 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 1.54 112.961 -177.119 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 32.5 p-90 -65.81 -30.61 71.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.439 -1.413 . . . . 1.16 112.761 -176.345 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.59 -41.5 90.44 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.217 -1.552 . . . . 2.34 108.058 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.53 -49.09 62.21 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.626 0.726 . . . . 0.86 109.392 179.291 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.44 -43.98 95.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.546 -0.721 . . . . 1.52 109.066 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 tp -67.24 -41.04 86.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.479 -0.763 . . . . 1.91 110.077 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.2 -40.02 84.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.06 -1.025 . . . . 2.46 110.021 -179.42 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.91 -39.43 94.16 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.918 -1.114 . . . . 1.54 110.318 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 7.3 mp -59.94 -43.28 95.08 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.17 -0.957 . . . . 1.45 110.564 -179.287 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -94.55 12.59 26.91 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.961 -1.087 . . . . 1.68 111.069 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -118.43 -92.84 0.52 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.157 -0.964 . . . . 3.08 110.811 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -52.89 165.22 0.31 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.531 -0.73 . . . . 3.33 109.646 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -66.43 -130.29 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.219 -1.03 . . . . 2.66 108.219 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ILE . 1.3 p 179.0 -42.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.864 -1.148 . . . . 2.22 109.826 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -54.61 -26.02 30.14 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.774 -0.579 . . . . 3.09 111.139 -178.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -74.91 -34.34 62.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.914 -1.116 . . . . 2.41 111.122 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CE2' ' OE1' ' A' ' 60' ' ' GLU . 71.6 m-85 -128.78 -1.93 5.35 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.171 -0.956 . . . . 1.56 111.474 -178.616 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.549 HD11 ' HG ' ' A' ' 55' ' ' LEU . 7.9 tt -164.39 -170.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.458 -1.401 . . . . 1.14 109.689 -178.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' HG23 ' A' ' 44' ' ' ILE . 2.8 p -132.97 120.68 21.73 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.95 -1.093 . . . . 1.71 110.313 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.414 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.14 108.56 20.13 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.09 -1.448 . . . . 1.46 107.09 179.63 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.3 p -58.27 149.19 24.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.92 -1.113 . . . . 2.04 110.084 -179.099 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.32 47.07 1.11 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.577 -1.409 . . . . 1.95 109.577 179.694 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -117.43 -118.63 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.491 -1.005 . . . . 3.56 108.787 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.4 -86.47 0.97 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.449 -1.46 . . . . 1.32 109.449 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 68.9 t-105 -146.16 57.88 1.21 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.095 -1.238 . . . . 1.06 109.627 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 58.0 mp0 -104.8 120.92 42.53 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.804 -0.813 . . . . 2.5 108.804 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.421 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 64.0 t80 -117.72 128.26 54.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.38 -0.825 . . . . 0.82 109.294 -179.361 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -127.07 133.93 50.37 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 122.095 0.95 . . . . 2.34 109.866 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.8 mp -86.51 97.81 10.7 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.856 -0.528 . . . . 1.3 110.396 -179.185 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.4 m -78.19 -59.99 2.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 1.6 110.279 179.36 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -134.0 78.66 59.07 Favored Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 121.31 -0.869 . . . . 2.54 110.363 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -75.19 54.42 3.73 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 C-N-CA 121.401 1.401 . . . . 1.09 109.544 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.45 -41.55 69.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.824 -1.172 . . . . 2.89 110.648 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE1' ' CE2' ' A' ' 43' ' ' PHE . 68.8 mt-10 -87.71 -33.92 18.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.686 -1.259 . . . . 3.15 109.721 -179.242 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.65 -45.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.277 -0.89 . . . . 0.8 108.983 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.08 80.96 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.305 -0.872 . . . . 0.84 109.177 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -68.79 -43.9 74.69 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 3.69 109.89 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.76 -39.93 95.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.227 -0.921 . . . . 3.46 110.035 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.82 -37.44 71.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.115 -0.991 . . . . 1.08 108.761 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.37 -22.01 49.41 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.844 -1.303 . . . . 1.09 109.844 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -65.81 -35.95 82.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.96 -1.317 . . . . 2.71 109.659 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -57.44 -38.64 74.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.266 -0.896 . . . . 3.88 108.905 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.91 14.56 31.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.721 . . . . 2.56 109.514 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 58.23 51.97 7.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.729 -0.607 . . . . 3.49 110.528 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -140.89 69.85 29.5 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.047 -1.033 . . . . 2.35 109.546 178.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -72.61 -4.77 15.92 Favored 'Trans proline' 0 C--N 1.319 -1.006 0 C-N-CA 122.028 1.819 . . . . 2.96 111.35 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -99.1 7.97 45.37 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.858 -1.151 . . . . 5.24 111.769 -178.053 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.4 mmt -88.84 123.07 32.87 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.65 -1.281 . . . . 2.41 109.394 179.48 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.417 ' ND2' ' CG ' ' A' ' 77' ' ' GLU . 52.8 p-10 -67.3 -179.89 1.11 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.93 0.872 . . . . 1.48 111.183 -179.161 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.92 -20.4 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.067 -0.716 . . . . 1.07 109.067 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' CG ' ' ND2' ' A' ' 75' ' ' ASN . 65.4 mm-40 -60.09 -31.87 70.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 2.53 108.941 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -55.22 -38.07 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.716 -0.846 . . . . 4.23 108.716 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 83' ' ' LEU . 9.5 mt -66.9 -39.4 87.41 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.302 -0.873 . . . . 1.17 108.664 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.8 m -65.05 -47.02 78.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.96 -1.088 . . . . 1.39 109.884 179.647 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.25 -33.82 76.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.112 -0.993 . . . . 4.74 109.894 -179.084 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.2 -55.3 1.73 Allowed Glycine 0 N--CA 1.492 2.378 0 C-N-CA 120.291 -0.957 . . . . 0.8 110.853 -178.62 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 83' ' ' LEU . 2.6 tt -61.48 -38.01 85.74 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.117 -1.225 . . . . 1.57 110.123 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -59.87 -50.46 73.69 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.183 -1.573 . . . . 2.34 109.349 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.413 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 63.0 t80 -57.37 -11.78 2.07 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.987 -1.071 . . . . 1.39 109.2 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -74.06 9.4 1.59 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.586 -0.696 . . . . 1.27 111.213 -178.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -76.81 13.04 1.11 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.686 -1.259 . . . . 1.65 109.262 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.25 -40.05 71.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 2.74 108.441 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -108.32 135.12 50.17 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.819 -0.808 . . . . 2.52 108.819 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -82.53 86.87 6.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.046 -1.034 . . . . 2.8 108.329 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.669 HD13 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -130.23 -57.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.815 -1.18 . . . . 1.28 107.815 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.615 ' N ' HG23 ' A' ' 91' ' ' ILE . 14.9 tt -114.59 123.98 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.249 -0.907 . . . . 1.09 109.27 179.094 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -110.15 147.6 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.312 -0.868 . . . . 1.79 109.606 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 94' ' ' LYS . 2.1 ttmp? -91.05 154.97 19.03 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.655 -0.869 . . . . 2.83 108.655 179.699 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.586 HG22 ' H ' ' A' ' 97' ' ' GLY . 28.4 m -85.74 139.44 31.34 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.423 -1.423 . . . . 1.24 108.706 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.21 46.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.426 -0.796 . . . . 2.47 110.747 -178.465 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 95' ' ' THR . . . -78.55 -96.84 0.25 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.52 -1.432 . . . . 2.32 109.52 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -106.19 165.08 11.5 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.589 -0.948 . . . . 3.6 108.912 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.515 ' NH1' ' OH ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -85.8 -17.21 36.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.91 -1.119 . . . . 5.66 110.734 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -71.68 -5.56 34.69 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.772 -1.205 . . . . 1.27 110.095 -178.211 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.48 120.29 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-O 121.875 0.845 . . . . 1.14 110.059 178.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.519 ' CE2' HD13 ' A' ' 83' ' ' LEU . 11.2 m-85 -105.33 150.88 24.81 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.517 -0.739 . . . . 1.23 109.257 179.122 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.412 ' HG3' HH11 ' A' ' 103' ' ' ARG . 29.4 mmm-85 -142.58 164.9 28.87 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.616 -0.883 . . . . 2.9 108.616 -179.691 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.442 ' CE2' HD12 ' A' ' 92' ' ' ILE . 28.4 m-85 -131.15 162.05 30.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.508 -0.745 . . . . 1.16 110.273 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 118.126 -0.94 . . . . 1.98 109.776 -179.282 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.455 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 2.8 108.395 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.66 108.712 -179.736 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 1.54 111.297 -178.108 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.16 112.011 -177.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.34 108.256 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.86 108.747 178.134 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 1.52 110.492 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 32' ' ' LEU . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 1.91 109.621 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 1.54 109.377 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.45 110.587 -178.643 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 1.68 112.057 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.564 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.33 110.149 -179.359 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.66 111.326 -178.135 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.22 110.158 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.09 111.081 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.41 111.51 -178.296 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.56 109.747 -178.585 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.14 108.019 -178.27 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 1.71 110.058 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.04 109.705 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 1.95 109.273 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.32 107.908 179.115 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.06 109.701 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.82 108.999 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.34 110.392 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.747 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.3 108.949 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.6 109.957 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 0.8 108.835 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 0.84 108.887 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 3.69 108.871 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 3.46 110.563 179.535 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.443 ' CZ2' HD21 ' A' ' 27' ' ' LEU . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.08 110.981 -178.098 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.09 110.866 -178.294 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 2.71 108.15 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 3.88 109.578 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 2.56 108.904 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.49 110.353 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.35 108.785 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 2.96 109.728 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.24 109.121 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.41 109.491 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.48 110.612 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.07 108.55 179.029 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.23 108.965 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.17 108.572 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.39 109.117 178.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 4.74 110.627 -179.115 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.8 111.163 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 1.57 109.557 -178.734 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.34 108.845 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.39 109.962 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 1.65 107.49 179.484 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 2.52 109.052 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 2.8 109.113 179.221 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.83 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.28 111.335 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.83 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.09 109.372 -178.466 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.555 ' N ' HD13 ' A' ' 92' ' ' ILE . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 1.79 109.951 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 2.83 109.913 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.24 108.762 179.787 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.47 110.938 -178.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 95' ' ' THR . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.678 ' H ' HG21 ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.6 108.855 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 5.66 110.903 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.27 111.004 -178.483 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.678 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.14 111.704 -178.287 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CD1' HD23 ' A' ' 55' ' ' LEU . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.23 108.629 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 2.9 109.782 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 35' ' ' LEU . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.16 109.809 -178.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 1.98 109.771 -178.687 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.204 -0.665 . . . . 2.8 109.204 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.66 109.276 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 1.54 111.851 -178.333 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.16 109.752 -177.861 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.34 107.955 179.42 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.86 109.015 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 1.52 108.133 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 1.91 108.608 179.634 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 1.54 110.297 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.45 110.779 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 1.68 110.916 -178.347 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.33 109.825 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.66 107.662 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.22 109.567 179.53 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.09 111.092 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.408 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.41 111.856 -178.524 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.56 110.064 -178.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.51 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.14 109.021 -178.298 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.51 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 1.71 108.161 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.562 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.04 108.664 179.619 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 1.95 110.204 -179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.32 110.423 -178.057 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.06 109.365 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.562 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.82 108.973 -178.532 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.34 110.813 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.3 110.562 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.6 109.533 178.721 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 57' ' ' ASP . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 0.8 109.186 179.602 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 0.84 109.628 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 3.69 108.768 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 3.46 110.912 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.435 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.08 109.062 -178.452 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.09 110.152 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 2.71 110.309 -179.563 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 3.88 109.532 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 2.56 109.329 -179.288 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.49 109.834 -179.799 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.35 108.91 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 2.96 111.3 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.24 109.5 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.41 108.495 179.465 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.48 111.022 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.07 108.772 179.089 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.23 108.631 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.17 108.506 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.39 109.168 179.462 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.699 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 4.74 110.197 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.8 111.108 -178.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 1.57 108.49 -179.152 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.699 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.34 109.873 179.552 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.39 108.705 179.095 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 1.65 109.312 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 2.52 107.965 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 2.8 107.759 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.591 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.28 109.023 -178.39 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.683 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.09 110.277 -179.626 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 1.79 109.562 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 2.83 110.316 -179.038 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.24 109.242 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.47 110.617 -179.16 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.6 109.18 -179.789 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 5.66 109.177 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.27 111.123 -178.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.461 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.14 110.352 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.23 109.748 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.9 108.091 178.271 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.683 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.16 108.902 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 1.98 109.869 -178.872 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.459 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.739 4.924 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.459 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.948 1 O4'-C1'-N19 111.133 4.166 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 1 O4'-C1'-N19 111.286 4.358 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.824 0 O4'-C1'-N19 110.857 3.821 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.536 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.834 1 O4'-C1'-N19 111.745 4.931 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.536 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.206 1 O4'-C1'-N19 111.404 4.505 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.46 1 O4'-C1'-N19 112.03 5.287 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.503 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.331 0 O4'-C1'-N19 110.887 3.859 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.503 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.568 1 O4'-C1'-N19 111.934 5.168 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.475 " O5'" H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.497 1 O4'-C1'-N19 111.63 4.788 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 1 O4'-C1'-N19 111.352 4.44 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.424 1 O4'-C1'-N19 111.291 4.364 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 1 O4'-C1'-N19 111.284 4.355 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.689 4.861 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.52 0 C3'-C2'-C1' 106.896 2.997 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.814 1 O4'-C1'-N19 111.349 4.436 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.806 5.007 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.941 3.927 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.559 0 O4'-C1'-N19 110.553 3.441 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 0 O4'-C1'-N19 110.253 3.067 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.325 1 O4'-C1'-N19 111.623 4.779 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.182 1 O4'-C1'-N19 111.256 4.32 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.42 ' OP2' ' OD2' ' A' ' 88' ' ' ASP . . . . . . . . 0 C5'--C4' 1.539 3.56 1 O4'-C1'-N19 111.927 5.158 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.536 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.65 3.562 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.536 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 112.375 5.719 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.526 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.573 4.717 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.552 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.8 3.75 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.552 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.97 3.963 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 1 O4'-C1'-N19 112.049 5.311 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 1 O4'-C1'-N19 111.046 4.057 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 1 O4'-C1'-N19 111.176 4.22 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 0 O4'-C1'-N19 110.45 3.312 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.525 3.406 . . . . 1.57 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.841 3.802 . . . . 1.79 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 10' ' ' VAL . 10.8 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.837 -0.801 . . . . 3.34 108.837 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 13' ' ' ALA . 50.5 mm -125.71 78.92 68.61 Favored Pre-proline 0 N--CA 1.495 1.812 0 N-CA-C 109.26 -0.644 . . . . 3.52 109.26 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -68.08 4.56 1.47 Allowed 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 121.456 1.437 . . . . 3.56 108.932 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -71.33 -91.79 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.381 -0.824 . . . . 2.93 109.954 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HA ' ' H ' ' A' ' 19' ' ' TYR . . . -65.04 -4.89 5.24 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.633 -0.667 . . . . 3.29 110.172 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.74 -33.92 19.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.529 -1.357 . . . . 2.93 110.102 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.4 mt -87.0 -62.56 1.48 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.473 -0.767 . . . . 3.23 110.545 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.91 -2.24 50.6 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.534 -0.729 . . . . 3.32 111.084 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.74 75.97 0.21 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 108.288 -1.925 . . . . 3.34 108.288 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.516 ' CE1' ' O ' ' A' ' 20' ' ' THR . 45.0 t80 -71.02 134.87 47.46 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.786 -0.832 . . . . 3.66 110.138 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 2.0 t -93.79 150.68 20.18 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.456 -0.777 . . . . 4.79 109.31 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.15 -4.57 68.54 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.459 -1.056 . . . . 5.2 110.459 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 20' ' ' THR . 82.8 p -126.61 146.28 50.22 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 120.833 -1.392 . . . . 4.83 109.189 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.94 76.81 1.07 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.246 -1.542 . . . . 3.71 109.246 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -57.29 137.6 82.38 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 121.072 1.181 . . . . 3.25 109.873 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.478 HG12 ' H ' ' A' ' 26' ' ' GLN . 14.5 tt -74.89 179.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 CA-C-O 121.697 0.76 . . . . 2.8 110.303 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.59 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -77.07 138.79 39.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.451 -0.781 . . . . 1.66 109.789 -179.503 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 27' ' ' LEU . 3.1 tm? -51.36 -63.69 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.494 -0.753 . . . . 1.54 111.397 -177.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.59 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 59.8 p-90 -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.413 -1.429 . . . . 1.16 109.391 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.504 ' H ' ' HG3' ' A' ' 26' ' ' GLN . 62.4 tt0 -68.97 -37.88 79.04 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 118.863 -1.135 . . . . 2.34 108.445 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.15 -49.12 73.39 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.329 -0.619 . . . . 0.86 109.329 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 31' ' ' LEU . 4.1 tt -63.43 -46.61 85.54 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.068 -1.086 . . . . 1.52 108.068 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.79 -40.17 91.63 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.003 -0.739 . . . . 1.91 109.003 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.38 -48.75 79.85 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.249 -0.981 . . . . 2.46 108.96 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.53 -30.05 66.7 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.076 -1.015 . . . . 1.54 108.945 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 10.7 tp -49.94 -46.72 52.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.704 -1.248 . . . . 1.45 110.371 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 p -81.92 56.95 3.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.783 -1.198 . . . . 1.68 107.88 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 42.6 t0 -102.52 132.11 48.79 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 121.889 0.852 . . . . 3.08 109.473 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 9.5 mmpt? -68.5 -40.28 80.93 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.46 0.648 . . . . 3.33 110.138 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -76.99 -10.77 59.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.503 -0.748 . . . . 2.66 111.047 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.544 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -51.77 -28.51 15.54 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.733 -1.187 . . . . 2.22 109.45 -179.217 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.13 -34.47 76.41 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.472 -1.392 . . . . 3.09 110.189 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.505 ' OG ' ' CD1' ' A' ' 43' ' ' PHE . 88.8 p -82.92 -15.52 51.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.7 -1.25 . . . . 2.41 111.014 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.505 ' CD1' ' OG ' ' A' ' 42' ' ' SER . 97.0 m-85 -119.12 -7.97 10.24 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.499 -0.75 . . . . 1.56 110.05 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 40' ' ' CYS . 11.2 tt -162.31 -177.31 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 1.14 109.605 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.49 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 75.0 m -113.26 115.21 27.82 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.067 -1.021 . . . . 1.71 110.956 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.491 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -117.45 98.53 6.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.113 -1.44 . . . . 1.46 107.113 178.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -68.32 142.5 55.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.585 -1.322 . . . . 2.04 110.273 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.43 50.17 1.64 Allowed Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.886 -1.286 . . . . 1.95 109.886 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -115.92 -112.16 0.34 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.41 -1.053 . . . . 3.56 108.946 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.8 -102.78 0.56 Allowed Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.855 -1.698 . . . . 1.32 108.855 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -144.22 82.18 1.7 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.047 -1.266 . . . . 1.06 109.858 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -131.91 131.44 42.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.459 -0.941 . . . . 2.5 108.459 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' HD11 ' A' ' 35' ' ' LEU . 51.2 t80 -122.16 118.52 28.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.599 -0.688 . . . . 0.82 109.755 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -110.87 135.5 51.33 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.438 -0.789 . . . . 2.34 109.835 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.2 mp -94.36 100.26 12.32 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.645 -0.66 . . . . 1.3 110.301 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 84.1 p -80.02 -63.04 1.5 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.14 -0.975 . . . . 1.6 109.561 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' OG ' ' A' ' 56' ' ' SER . 82.0 m-20 -140.07 80.28 20.65 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.124 -0.985 . . . . 2.54 110.484 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -73.93 57.63 3.91 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.229 1.286 . . . . 1.09 108.9 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.95 -41.18 71.45 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.107 -0.995 . . . . 2.89 109.625 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 43' ' ' PHE . 84.8 mt-10 -88.3 -32.22 18.58 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.977 -0.749 . . . . 3.15 108.977 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.64 -43.25 96.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.162 -0.961 . . . . 0.8 108.983 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.75 75.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.046 -1.034 . . . . 0.84 109.858 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.703 HH12 ' NZ ' ' A' ' 73' ' ' LYS . 8.3 mtt-85 -60.18 -44.9 94.68 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.404 -0.919 . . . . 3.69 108.693 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -63.82 -39.04 93.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.793 -0.817 . . . . 3.46 108.793 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.736 ' HE1' ' HZ2' ' A' ' 78' ' ' LYS . 24.2 t-105 -58.52 -41.77 86.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.923 -1.111 . . . . 1.08 108.589 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.85 -17.88 64.63 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.446 -1.062 . . . . 1.09 110.446 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -66.42 -44.84 81.8 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.176 -1.191 . . . . 2.71 109.527 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -61.97 -22.03 65.31 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.446 -0.784 . . . . 3.88 108.958 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -91.98 6.21 47.2 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.391 -0.818 . . . . 2.56 109.486 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 56.69 59.01 3.75 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 3.49 110.597 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -132.11 145.9 59.35 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 107.522 -1.288 . . . . 2.35 107.522 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -60.04 -65.14 0.08 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 121.278 1.319 . . . . 2.96 110.127 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.703 ' NZ ' HH12 ' A' ' 63' ' ' ARG . 55.1 tttp -132.54 132.19 42.34 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.341 -0.985 . . . . 5.24 108.341 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.0 tpp -115.13 128.73 56.39 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.917 0.865 . . . . 2.41 109.86 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.778 HD22 ' H ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -67.45 143.41 56.25 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.785 0.802 . . . . 1.48 109.825 179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.529 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 68.7 t80 -66.61 -23.79 66.23 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.842 -0.799 . . . . 1.07 108.842 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -58.95 -28.08 65.94 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 107.228 -1.397 . . . . 2.53 107.228 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.736 ' HZ2' ' HE1' ' A' ' 65' ' ' TRP . 12.2 tmtt? -56.79 -39.89 74.94 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.934 -1.136 . . . . 4.23 107.934 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.674 HD21 ' CD1' ' A' ' 65' ' ' TRP . 2.9 mm? -66.38 -47.34 73.69 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 107.996 -1.113 . . . . 1.17 107.996 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.3 m -60.08 -44.06 95.04 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.251 -1.38 . . . . 1.39 108.773 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.518 HH11 ' H41' ' C' ' 27' ' ' ' DC' . 39.6 ttp180 -68.23 -43.0 78.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.919 -1.113 . . . . 4.74 111.275 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.53 -47.99 4.4 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.092 -1.052 . . . . 0.8 110.987 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -60.83 -47.03 88.2 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.42 -1.047 . . . . 1.57 109.562 -178.592 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' CZ ' ' OP2' ' B' ' 8' ' ' ' DG' . 6.8 tmm_? -54.0 -49.07 69.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.324 -1.485 . . . . 2.34 108.158 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.416 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 73.6 t80 -62.6 -5.61 2.79 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.144 -0.972 . . . . 1.39 109.843 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 88' ' ' ASP . 11.7 t80 -72.59 3.15 5.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.89 -1.131 . . . . 1.27 111.343 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.62 59.23 0.2 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.663 -1.273 . . . . 1.65 107.614 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' TYR . 65.0 m-20 -80.71 -47.68 13.65 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 2.74 110.532 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -126.05 -93.43 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.813 0.816 . . . . 2.52 109.671 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -160.51 92.98 0.99 Allowed 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.807 -1.183 . . . . 2.8 107.807 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.875 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -144.92 -91.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.466 -0.771 . . . . 1.28 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.875 ' H ' HG23 ' A' ' 91' ' ' ILE . 12.6 tt -93.95 120.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.389 -1.444 . . . . 1.09 110.219 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -105.3 150.08 25.48 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.481 -0.933 . . . . 1.79 108.481 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -89.54 140.08 29.89 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.754 -1.216 . . . . 2.83 109.714 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 97' ' ' GLY . 35.3 m -88.6 132.44 34.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.0 -1.063 . . . . 1.24 110.246 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.64 19.8 0.36 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.905 . . . . 2.47 109.834 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.418 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.54 -92.29 0.27 Allowed Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.909 -1.676 . . . . 2.32 108.909 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.559 ' H ' HG21 ' A' ' 101' ' ' VAL . 32.8 mmtp -103.93 -175.14 2.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.387 -1.067 . . . . 3.6 108.801 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.622 ' CG ' HH11 ' A' ' 99' ' ' ARG . 4.2 mtt-85 -85.45 -13.29 49.67 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.709 -1.245 . . . . 5.66 109.399 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -108.5 9.92 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.932 -1.105 . . . . 1.27 111.171 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.559 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.4 m -91.56 121.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.326 -1.484 . . . . 1.14 111.141 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.529 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 9.2 m-85 -114.07 148.42 37.11 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.009 -1.108 . . . . 1.23 108.009 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -151.11 157.1 42.32 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.087 -1.008 . . . . 2.9 109.573 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.676 ' CE2' HD12 ' A' ' 92' ' ' ILE . 46.3 m-85 -124.69 158.92 32.02 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.587 -0.894 . . . . 1.16 108.587 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 118.061 -0.971 . . . . 1.98 109.458 -179.498 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.81 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.139 4.173 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.249 4.311 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.248 4.31 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.377 5.721 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C1'-N19 110.724 3.655 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.58 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C1'-N19 111.478 4.598 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.58 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.552 4.69 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.612 ' N7 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.42 1 O4'-C1'-N19 111.416 4.52 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.591 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.972 5.215 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 1 O4'-C1'-N19 111.927 5.158 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.422 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.061 4.076 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.422 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.298 4.373 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.946 5.182 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 1 O4'-C1'-N19 111.131 4.164 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.538 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 C3'-C2'-C1' 107.025 3.089 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.538 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.542 4.677 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.324 4.405 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.368 4.46 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.486 3.357 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.247 4.308 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.444 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 112.113 5.391 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.478 ' OP1' ' NZ ' ' A' ' 89' ' ' LYS . . . . . . . . 0 O4'--C1' 1.448 2.124 1 O4'-C1'-N19 111.944 5.18 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 1 O4'-C1'-N19 111.442 4.552 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.621 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.354 1 O4'-C1'-N19 111.114 4.143 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.621 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.848 5.06 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.475 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.808 3.76 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.475 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O4'-C1'-N19 110.75 3.687 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.314 4.392 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.532 ' C2 ' ' C4 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 112.402 5.752 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.532 ' C4 ' ' C2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.587 0 O4'-C1'-N19 110.457 3.321 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.527 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.572 4.715 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.417 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.17 2.963 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.407 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.945 3.931 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.407 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 110.959 3.949 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.855 -0.424 . . . . 3.34 109.855 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.6 tp -139.6 64.58 30.41 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 3.52 109.096 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.88 -3.49 12.85 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 N-CA-C 108.04 -1.562 . . . . 3.56 108.04 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.23 -51.27 47.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.782 -0.574 . . . . 2.93 110.005 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.55 67.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.295 -0.878 . . . . 3.29 108.814 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.83 -33.62 27.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.728 -0.608 . . . . 2.93 110.59 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.78 -39.23 44.76 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.126 -0.983 . . . . 3.23 109.545 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -84.03 -15.53 47.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.296 -0.878 . . . . 3.32 109.929 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.66 -7.11 9.52 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.67 -1.772 . . . . 3.34 108.67 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' H ' ' C ' ' A' ' 17' ' ' ALA . 1.2 t80 -72.17 121.1 18.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.912 -0.757 . . . . 3.66 109.765 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 21' ' ' GLY . 30.4 m -126.31 -112.11 0.29 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.738 -0.838 . . . . 4.79 108.738 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 20' ' ' THR . . . -90.88 57.53 3.31 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.74 -1.344 . . . . 5.2 109.74 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 t -106.74 40.58 1.61 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.313 -1.11 . . . . 4.83 109.312 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 170.53 47.11 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.05 -2.02 . . . . 3.71 108.05 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -68.93 129.59 18.76 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.078 1.041 . . . . 3.25 110.725 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.455 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt -84.11 -176.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 2.8 108.395 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.66 108.712 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 1.54 111.297 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.16 112.011 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.34 108.256 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.86 108.747 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 1.52 110.492 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 32' ' ' LEU . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 1.91 109.621 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 1.54 109.377 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.45 110.587 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 1.68 112.057 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.564 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.33 110.149 -179.359 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.66 111.326 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.22 110.158 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.09 111.081 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.41 111.51 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.56 109.747 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.14 108.019 -178.27 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 1.71 110.058 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.04 109.705 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 1.95 109.273 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.32 107.908 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.06 109.701 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.82 108.999 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.34 110.392 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.747 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.3 108.949 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.6 109.957 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 0.8 108.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 0.84 108.887 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 3.69 108.871 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 3.46 110.563 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.443 ' CZ2' HD21 ' A' ' 27' ' ' LEU . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.08 110.981 -178.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.09 110.866 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 2.71 108.15 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 3.88 109.578 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 2.56 108.904 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.49 110.353 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.35 108.785 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 2.96 109.728 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.24 109.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.41 109.491 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.48 110.612 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.07 108.55 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.23 108.965 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.17 108.572 178.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.39 109.117 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.612 ' NH1' ' N7 ' ' B' ' 8' ' ' ' DG' . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 4.74 110.627 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.8 111.163 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 1.57 109.557 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.34 108.845 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.39 109.962 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 1.65 107.49 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' NZ ' ' OP1' ' C' ' 22' ' ' ' DA' . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 2.52 109.052 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 2.8 109.113 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.83 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.28 111.335 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.83 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.09 109.372 -178.466 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.555 ' N ' HD13 ' A' ' 92' ' ' ILE . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 1.79 109.951 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 2.83 109.913 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.24 108.762 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.47 110.938 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 95' ' ' THR . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.678 ' H ' HG21 ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.6 108.855 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 5.66 110.903 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.27 111.004 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.678 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.14 111.704 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CD1' HD23 ' A' ' 55' ' ' LEU . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.23 108.629 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 2.9 109.782 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 35' ' ' LEU . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.16 109.809 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 1.98 109.771 -178.687 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.555 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.841 3.801 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.555 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.244 3.055 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.977 3.971 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C1'-N19 110.251 3.064 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 1 O4'-C1'-N19 111.688 4.86 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.599 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.223 3.029 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.599 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.695 1 O4'-C1'-N19 111.97 5.213 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.576 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.752 0 O4'-C1'-N19 110.901 3.876 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.493 ' O6 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.295 4.368 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.643 ' N6 ' HH12 ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.722 4.902 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.411 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.538 4.672 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.411 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 112.185 5.482 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 1 O4'-C1'-N19 111.368 4.46 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 111.031 4.038 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C3'-C2'-C1' 107.001 3.072 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.19 4.238 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 1 O4'-C1'-N19 111.299 4.374 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.787 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 110.861 3.826 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.608 0 O4'-C1'-N19 110.816 3.77 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.595 4.743 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.487 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.778 4.972 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.487 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.596 0 O4'-C1'-N19 110.588 3.485 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 112.159 5.449 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.51 H5'' ' HZ1' ' A' ' 69' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.256 0 O4'-C1'-N19 110.495 3.369 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.435 ' O4 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.905 5.131 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.489 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.004 1 O4'-C1'-N19 111.607 4.759 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.508 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.317 3.146 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.534 ' N2 ' ' C6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.332 4.415 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.836 5.045 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.49 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.237 0 O4'-C1'-N19 110.775 3.719 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.49 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.296 4.37 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.454 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-N19 110.272 3.091 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.486 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.912 1 O4'-C1'-N19 111.291 4.364 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.486 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.026 4.033 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.251 0.548 . . . . 3.34 109.532 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.596 ' C ' ' H ' ' A' ' 13' ' ' ALA . 1.1 pp -142.76 61.5 11.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.24 -0.913 . . . . 3.52 108.735 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.91 29.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.716 1.61 . . . . 3.56 111.257 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.596 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -103.77 -169.64 1.67 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 2.93 110.791 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -10.48 25.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.778 -0.576 . . . . 3.29 109.604 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.71 -11.58 59.89 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.607 -1.257 . . . . 2.93 107.607 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.3 tt -84.76 -66.7 0.86 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.592 -1.262 . . . . 3.23 107.592 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.13 -66.34 0.88 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.303 -0.999 . . . . 3.32 108.303 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.81 27.03 73.14 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.729 -0.948 . . . . 3.34 110.729 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE1' HD12 ' A' ' 25' ' ' ILE . 34.1 p90 -74.18 133.73 42.75 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.977 -1.308 . . . . 3.66 109.561 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.528 ' C ' ' H ' ' A' ' 22' ' ' SER . 73.4 p -94.64 -158.12 0.61 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.258 -0.901 . . . . 4.79 110.078 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.73 8.22 0.14 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.508 -1.037 . . . . 5.2 110.508 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 20' ' ' THR . 39.3 m -98.32 131.33 44.71 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.073 -1.251 . . . . 4.83 108.069 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.64 64.15 4.33 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.358 -1.497 . . . . 3.71 109.358 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -57.87 121.97 10.93 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 120.758 0.972 . . . . 3.25 109.897 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.409 HD12 ' CE1' ' A' ' 19' ' ' TYR . 81.6 mt -77.38 152.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.232 -0.917 . . . . 2.8 109.204 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.66 109.276 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 1.54 111.851 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.16 109.752 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.34 107.955 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.86 109.015 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 1.52 108.133 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 1.91 108.608 179.634 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 1.54 110.297 -179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.45 110.779 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 1.68 110.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.33 109.825 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.66 107.662 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.22 109.567 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.09 111.092 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.408 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.41 111.856 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.56 110.064 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.51 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.14 109.021 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.51 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 1.71 108.161 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.562 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.04 108.664 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 1.95 110.204 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.32 110.423 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.06 109.365 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.562 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.82 108.973 -178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.34 110.813 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.3 110.562 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.6 109.533 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 57' ' ' ASP . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 0.8 109.186 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 0.84 109.628 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 3.69 108.768 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 3.46 110.912 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.435 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.08 109.062 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.09 110.152 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 2.71 110.309 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 3.88 109.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.51 ' HZ1' H5'' ' C' ' 24' ' ' ' DT' . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 2.56 109.329 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.49 109.834 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.35 108.91 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 2.96 111.3 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.24 109.5 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.41 108.495 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.48 111.022 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.07 108.772 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.23 108.631 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.17 108.506 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.39 109.168 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.699 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 4.74 110.197 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.8 111.108 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 1.57 108.49 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.699 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.34 109.873 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.39 108.705 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 1.65 109.312 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 2.52 107.965 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 2.8 107.759 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.591 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.28 109.023 -178.39 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.683 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.09 110.277 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 1.79 109.562 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 2.83 110.316 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.24 109.242 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.47 110.617 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.6 109.18 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 5.66 109.177 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.27 111.123 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.461 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.14 110.352 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.23 109.748 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.9 108.091 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.683 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.16 108.902 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 1.98 109.869 -178.872 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.45 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.765 3.706 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.45 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.197 0 O4'-C1'-N19 110.966 3.958 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.693 3.616 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.252 0 O4'-C1'-N19 110.894 3.867 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C1'-N19 112.214 5.517 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.318 0 C3'-C2'-C1' 106.681 2.843 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.48 ' N4 ' ' OE2' ' A' ' 77' ' ' GLU . . . . . . . . 1 C5'--C4' 1.547 4.451 1 O4'-C1'-N19 112.061 5.326 . . . . 1.38 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.449 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.157 1 O4'-C1'-N19 111.109 4.136 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.449 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 111.505 4.631 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 1 O4'-C1'-N19 111.519 4.649 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.445 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.861 1 O4'-C1'-N19 111.282 4.352 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.445 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.075 1 O4'-C1'-N19 111.705 4.881 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.337 1 O4'-C1'-N19 111.734 4.918 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.265 4.331 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.085 0 O4'-C1'-N19 110.4 3.25 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.442 H2'' " O5'" ' B' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.329 4.411 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . 0.442 " O5'" H2'' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.711 4.888 . . . . 2.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.805 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.841 3.801 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.416 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.321 0 O4'-C1'-N19 110.409 3.261 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.416 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.401 1 O4'-C1'-N19 111.078 4.097 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.498 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.011 1 O4'-C1'-N19 111.753 4.941 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.498 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.443 0 O4'-C1'-N19 110.942 3.928 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 1 O4'-C1'-N19 112.027 5.284 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.586 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.224 1 O4'-C1'-N19 111.068 4.086 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.586 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.824 5.03 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.567 ' H41' ' CZ ' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.484 4.606 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.577 ' H41' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.723 0 O4'-C1'-N19 110.646 3.557 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.565 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.514 1 O4'-C1'-N19 111.315 4.393 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.446 ' N2 ' ' C2 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C1'-N19 112.114 5.393 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.446 ' C2 ' ' N2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.391 0 O4'-C1'-N19 110.889 3.861 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.602 4.752 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.623 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.501 3.377 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.409 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.993 0 O4'-C1'-N19 110.593 3.491 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.409 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.304 0 O4'-C1'-N19 110.841 3.801 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 10' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.359 -0.608 . . . . 3.34 109.359 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -135.12 48.43 2.9 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.533 -0.729 . . . . 3.52 109.307 179.43 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 1.2 Cg_endo -56.96 -10.19 5.35 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 121.294 1.329 . . . . 3.56 109.41 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HD13 ' A' ' 11' ' ' ILE . . . -58.62 -37.98 77.04 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.53 -0.731 . . . . 2.93 109.21 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -33.66 74.04 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.406 -0.961 . . . . 3.29 108.406 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.82 -19.7 28.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.289 -0.882 . . . . 2.93 110.782 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.416 ' O ' ' OE2' ' A' ' 33' ' ' GLU . 88.0 mt -78.83 -27.04 44.2 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.387 -1.446 . . . . 3.23 107.933 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.25 -174.9 4.37 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.806 -1.183 . . . . 3.32 107.806 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.32 10.8 85.92 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 108.395 -1.882 . . . . 3.34 108.395 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CE1' HD12 ' A' ' 25' ' ' ILE . 39.9 p90 -69.47 128.24 35.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.503 -0.998 . . . . 3.66 109.291 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.9 p -99.84 11.93 38.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.425 -0.797 . . . . 4.79 110.093 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.81 -42.37 59.45 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.104 -1.198 . . . . 5.2 110.104 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -101.96 10.42 39.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.469 -1.018 . . . . 4.83 109.137 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.42 -124.3 7.56 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 108.999 -1.64 . . . . 3.71 108.999 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -53.86 139.84 68.77 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 CA-C-N 119.256 1.528 . . . . 3.25 109.665 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.457 HD12 ' CE1' ' A' ' 19' ' ' TYR . 43.9 mm -75.75 136.9 23.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.52 -0.737 . . . . 2.8 109.568 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.554 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 5.9 tm0? -88.51 149.91 23.38 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.594 -1.262 . . . . 1.66 107.594 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.3 tt -58.97 -56.06 27.07 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 1.54 111.949 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.605 ' N ' HD23 ' A' ' 27' ' ' LEU . 58.6 p-90 -73.22 -35.75 66.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.251 -1.53 . . . . 1.16 111.272 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' CD ' ' OH ' ' A' ' 19' ' ' TYR . 7.7 tt0 -53.81 -44.0 69.81 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 119.988 -1.695 . . . . 2.34 107.762 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.08 -42.67 98.94 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.837 -0.801 . . . . 0.86 108.837 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -61.15 -50.24 73.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.117 -0.989 . . . . 1.52 109.386 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD21 ' CD2' ' A' ' 104' ' ' PHE . 3.6 mm? -60.55 -43.93 96.69 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.981 -1.074 . . . . 1.91 110.093 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 16' ' ' LEU . 61.4 tt0 -60.84 -49.36 77.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.758 -1.214 . . . . 2.46 108.44 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.7 -39.72 91.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.288 -0.882 . . . . 1.54 109.913 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 9.2 tt -57.46 -39.61 76.69 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.216 -0.927 . . . . 1.45 109.444 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -113.44 70.44 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.508 -0.745 . . . . 1.68 109.791 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 37' ' ' ASP . 23.2 p-10 -115.31 -135.46 0.35 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.561 -0.712 . . . . 3.08 109.712 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -59.55 -143.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.935 -1.103 . . . . 3.33 111.042 -178.596 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 41' ' ' GLN . 23.0 t -63.43 -39.51 94.68 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.145 -0.972 . . . . 2.66 110.057 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 38' ' ' LYS . 1.8 m 70.43 -19.05 0.22 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.011 -1.056 . . . . 2.22 109.293 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' H ' ' C ' ' A' ' 39' ' ' SER . 38.6 mm-40 -63.48 -33.04 74.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.47 -0.769 . . . . 3.09 111.044 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.9 m -79.22 -19.31 51.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.95 -1.094 . . . . 2.41 111.257 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.14 -12.92 8.62 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.022 -1.049 . . . . 1.56 110.514 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.521 ' CG1' ' H ' ' A' ' 45' ' ' SER . 9.1 tt -163.2 -175.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.033 -1.042 . . . . 1.14 109.368 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.521 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 12.0 t -120.19 124.11 44.91 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.71 -1.244 . . . . 1.71 110.701 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.73 106.16 13.55 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.631 -1.618 . . . . 1.46 106.631 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.0 p -66.98 156.84 34.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.902 -1.124 . . . . 2.04 110.193 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.38 60.77 1.54 Allowed Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.373 -1.491 . . . . 1.95 109.373 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.547 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 31.5 t70 -122.43 -153.48 0.55 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.215 -1.032 . . . . 3.56 108.215 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.547 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -77.98 -61.89 2.45 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 108.623 -1.791 . . . . 1.32 108.623 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -150.66 69.99 1.0 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -1.189 . . . . 1.06 108.18 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -119.42 98.94 6.38 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.456 -1.313 . . . . 2.5 107.456 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' TYR . 58.4 t80 -109.77 133.06 53.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.321 -0.862 . . . . 0.82 110.669 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -133.94 142.05 47.55 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 122.332 1.063 . . . . 2.34 109.989 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.1 mp -90.58 100.26 13.14 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.886 -0.597 . . . . 1.3 110.564 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 31.0 t -79.47 -62.56 1.65 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.955 . . . . 1.6 110.492 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 56' ' ' SER . 87.7 m-20 -137.66 77.67 38.87 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 121.226 -0.921 . . . . 2.54 111.399 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.51 58.31 4.49 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 N-CA-C 109.206 -1.113 . . . . 1.09 109.206 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.92 -41.58 61.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.886 -1.134 . . . . 2.89 109.708 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -80.06 -34.21 38.37 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.5 -0.926 . . . . 3.15 108.5 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.63 -42.95 87.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.485 -0.759 . . . . 0.8 109.991 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.32 91.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.956 -1.09 . . . . 0.84 109.082 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.416 HH11 ' HG3' ' A' ' 63' ' ' ARG . 9.1 ttm-85 -61.2 -47.08 87.78 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.609 -0.886 . . . . 3.69 108.609 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -66.87 -41.43 87.27 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.27 -0.894 . . . . 3.46 110.664 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.576 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 10.8 t-105 -62.17 -46.2 90.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.122 -0.986 . . . . 1.08 110.013 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.79 -49.7 47.15 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 120.102 -1.047 . . . . 1.09 110.748 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -66.69 -7.35 20.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.944 -1.327 . . . . 2.71 110.117 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -58.11 -38.89 77.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.886 -1.133 . . . . 3.88 109.337 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -102.94 30.51 4.74 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.406 -0.809 . . . . 2.56 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 55.98 57.3 5.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.199 -0.938 . . . . 3.49 110.018 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 72' ' ' PRO . 61.0 mttm -129.16 154.13 80.47 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.415 -0.803 . . . . 2.35 109.728 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 71' ' ' LYS . 3.0 Cg_exo -52.84 -159.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 121.61 1.54 . . . . 2.96 110.566 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -88.41 123.6 33.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.887 -1.133 . . . . 5.24 109.829 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 19.6 mmt -111.58 137.36 49.53 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.432 -0.793 . . . . 2.41 109.85 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.51 173.0 7.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.601 -0.687 . . . . 1.48 110.015 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.516 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 62.4 t80 -69.83 -15.74 63.15 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.35 -0.844 . . . . 1.07 109.882 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.48 ' OE2' ' N4 ' ' B' ' 7' ' ' ' DC' . 61.6 tt0 -56.53 -32.87 65.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -0.915 . . . . 2.53 108.638 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.576 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 11.6 tmtt? -55.98 -42.69 76.7 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.562 -0.711 . . . . 4.23 109.552 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 76' ' ' TYR . 6.9 mt -68.0 -41.35 82.4 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.451 -0.781 . . . . 1.17 109.933 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.5 p -60.85 -46.71 89.5 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.689 -1.257 . . . . 1.39 109.34 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.577 ' NH1' ' H41' ' C' ' 27' ' ' ' DC' . 45.6 ttp180 -77.68 -42.31 35.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.326 -0.859 . . . . 4.74 109.756 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.4 -48.71 22.98 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 120.18 -1.009 . . . . 0.8 111.593 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.62 -30.78 70.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.66 -1.494 . . . . 1.57 110.7 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -53.16 -37.06 61.53 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.878 -1.139 . . . . 2.34 109.434 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 36.6 t80 -73.47 -14.79 61.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.047 -1.033 . . . . 1.39 109.723 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.495 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 4.5 t80 -70.98 6.94 1.32 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.104 -0.998 . . . . 1.27 111.625 -177.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.521 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 8.8 m-85 -77.14 15.8 0.66 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.681 -1.262 . . . . 1.65 109.639 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -73.06 -36.66 66.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.84 -1.163 . . . . 2.74 108.865 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -109.24 136.52 48.57 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.825 -1.176 . . . . 2.52 107.825 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -78.04 91.41 4.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.701 -1.249 . . . . 2.8 109.123 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -136.19 -46.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 115.766 -0.652 . . . . 1.28 109.344 -179.191 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.595 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 4.6 tt -137.26 136.16 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.159 -0.963 . . . . 1.09 110.004 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -134.13 149.43 51.07 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.959 -0.756 . . . . 1.79 108.959 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.521 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 67.0 mttm -81.27 144.82 31.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.135 -0.978 . . . . 2.83 110.635 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 97' ' ' GLY . 94.1 m -91.47 127.95 37.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.648 -0.658 . . . . 1.24 109.648 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.96 26.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.355 -0.841 . . . . 2.47 110.362 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 95' ' ' THR . . . -80.52 -69.02 1.42 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.092 -1.203 . . . . 2.32 110.092 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.531 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.3 tptm -113.32 -133.79 0.34 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.291 -1.003 . . . . 3.6 108.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.43 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 88.2 mtm180 -121.1 -32.92 3.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.297 -0.877 . . . . 5.66 109.588 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -107.13 26.41 10.19 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.319 -0.863 . . . . 1.27 109.805 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.531 HG21 ' H ' ' A' ' 98' ' ' LYS . 4.6 m -91.21 124.01 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 120.735 -1.228 . . . . 1.14 109.906 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.516 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 14.6 m-85 -118.15 145.41 44.93 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.756 -0.831 . . . . 1.23 108.756 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -146.92 159.31 43.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 2.9 109.387 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 23.0 m-85 -130.01 162.92 27.62 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.581 0.705 . . . . 1.16 109.851 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.934 -1.031 . . . . 1.98 109.838 -179.396 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.212 1 O4'-C1'-N19 111.231 4.289 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C1'-N19 110.389 3.236 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.882 3.853 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 1 O4'-C1'-N19 111.214 4.267 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.517 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.336 1 O4'-C1'-N19 111.633 4.791 . . . . 1.25 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.517 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.216 4.27 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.602 ' N3 ' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.316 1 O4'-C1'-N19 111.566 4.707 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.583 ' N7 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.743 4.929 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.517 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.791 1 O4'-C1'-N19 111.625 4.781 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 1 O4'-C1'-N19 111.496 4.619 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.407 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.299 1 O4'-C1'-N19 111.187 4.234 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.407 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.389 1 O4'-C1'-N19 112.452 5.815 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.463 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.707 3.633 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.463 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.73 4.912 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.48 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 110.334 3.167 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.48 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.109 4.136 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.431 0 O4'-C1'-N19 110.94 3.925 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.404 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.098 0 O4'-C1'-N19 110.61 3.512 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.052 1 O4'-C1'-N19 111.228 4.285 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.02 4.025 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.55 ' C6 ' ' N6 ' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 111.993 5.241 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.55 ' N6 ' ' C6 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.51 1 O4'-C1'-N19 111.09 4.113 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.432 ' OP1' ' CE2' ' A' ' 86' ' ' TYR . . . . . . . . 0 C5'--C4' 1.53 2.315 1 O4'-C1'-N19 111.513 4.641 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.456 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.887 1 O4'-C1'-N19 111.047 4.059 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.456 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.436 1 O4'-C1'-N19 111.457 4.571 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.446 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.112 1 O4'-C1'-N19 111.519 4.648 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.446 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.267 3.084 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.579 ' H22' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.42 1 O4'-C1'-N19 111.652 4.815 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.882 1 O4'-C1'-N19 111.941 5.176 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.481 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.755 0 O4'-C1'-N19 110.794 3.743 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.481 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.034 1 O4'-C1'-N19 111.516 4.645 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 1 O4'-C1'-N19 111.219 4.273 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.497 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.786 1 O4'-C1'-N19 111.071 4.089 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.497 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.789 3.736 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 10' ' ' VAL . 7.4 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.531 0.681 . . . . 3.34 109.176 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.5 tp -147.68 62.46 6.97 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 121.093 -1.004 . . . . 3.52 108.805 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 1.5 Cg_endo -62.53 -13.3 32.54 Favored 'Trans proline' 0 C--N 1.318 -1.037 0 N-CA-C 108.003 -1.576 . . . . 3.56 108.003 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.539 ' N ' ' OD1' ' A' ' 37' ' ' ASP . . . -49.32 -53.74 20.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.174 -0.954 . . . . 2.93 109.158 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -19.7 65.67 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.651 -0.87 . . . . 3.29 108.651 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' PRO . . . -81.68 -33.25 31.34 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.389 -0.819 . . . . 2.93 109.749 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 16' ' ' LEU . 8.0 mp -84.86 -16.69 40.39 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.798 -1.189 . . . . 3.23 109.961 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' TYR . . . -79.83 -89.08 0.06 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.917 -1.114 . . . . 3.32 108.732 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . 45.38 23.46 0.8 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.403 -1.479 . . . . 3.34 109.403 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' ALA . 41.8 p90 -68.51 158.68 33.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.997 -1.296 . . . . 3.66 108.86 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' SER . 70.0 m -84.49 145.37 28.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.164 -0.96 . . . . 4.79 110.19 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.22 84.56 0.01 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.651 -1.379 . . . . 5.2 109.651 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' THR . 49.0 m -105.35 31.55 4.84 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.332 -0.988 . . . . 4.83 108.332 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.39 -170.3 35.41 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 107.814 -2.114 . . . . 3.71 107.814 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' CA ' HH22 ' A' ' 68' ' ' ARG . 6.5 Cg_exo -56.19 140.5 87.55 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 N-CA-C 109.549 -0.981 . . . . 3.25 109.549 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.454 HD12 ' HB2' ' A' ' 30' ' ' PHE . 21.3 pt -76.34 168.73 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.106 -0.996 . . . . 2.8 109.686 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.576 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 4.8 tm0? -83.12 153.15 24.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.381 -0.825 . . . . 1.66 109.026 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.4 tm? -60.51 -58.34 8.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 1.54 110.821 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.538 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 50.9 p-90 -75.16 -38.09 61.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.015 -1.053 . . . . 1.16 112.021 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 18.8 tt0 -51.63 -40.13 59.35 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.323 -1.486 . . . . 2.34 107.505 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' HD12 ' A' ' 25' ' ' ILE . 80.4 t80 -62.25 -46.58 88.18 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.79 -0.764 . . . . 0.86 109.729 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.56 -39.59 88.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 1.52 108.346 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.23 -49.77 76.29 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.84 -1.163 . . . . 1.91 110.789 -178.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.94 -36.32 79.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.296 -1.503 . . . . 2.46 109.286 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -40.69 76.3 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.19 -1.041 . . . . 1.54 108.19 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.6 tp -51.16 -49.78 60.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.193 -0.942 . . . . 1.45 111.304 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.2 p -87.74 56.58 3.96 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.539 -1.35 . . . . 1.68 111.174 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 13' ' ' ALA . 27.7 t70 -112.49 130.25 56.06 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.305 -0.998 . . . . 3.08 108.305 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -28.35 68.58 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.317 -0.864 . . . . 3.33 110.636 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.41 -7.03 47.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 2.66 109.628 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.604 ' O ' HG22 ' A' ' 44' ' ' ILE . 62.8 m -58.33 -47.31 84.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.919 -1.113 . . . . 2.22 110.72 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.49 -23.63 10.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.536 -1.353 . . . . 3.09 110.267 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 t -73.29 -43.46 60.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.953 -1.092 . . . . 2.41 111.935 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.72 15.08 15.43 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 120.792 -1.193 . . . . 1.56 111.504 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 40' ' ' CYS . 15.0 tt -164.46 -174.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.764 -1.21 . . . . 1.14 109.269 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.513 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 47.2 t -127.86 129.18 46.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.27 1.033 . . . . 1.71 110.846 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.428 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -114.43 112.07 22.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 106.981 -1.488 . . . . 1.46 106.981 179.171 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' TRP . 65.8 p -58.11 -158.84 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.007 -1.058 . . . . 2.04 110.629 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -60.46 -135.27 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.264 -0.898 . . . . 1.95 111.047 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -106.12 13.7 28.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -1.014 . . . . 3.56 110.408 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.61 -114.78 0.39 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.497 -1.841 . . . . 1.32 108.497 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -155.34 35.44 0.37 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.059 -1.259 . . . . 1.06 109.025 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -98.29 96.72 8.25 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.473 -1.306 . . . . 2.5 107.473 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 102' ' ' TYR . 49.1 t80 -108.65 129.57 55.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.702 -0.624 . . . . 0.82 109.813 -177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 138.35 53.64 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 121.817 0.818 . . . . 2.34 110.188 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 55' ' ' LEU . 9.4 mp -90.13 97.05 10.96 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 116.025 -0.534 . . . . 1.3 109.734 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -80.7 -54.1 5.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 1.6 110.18 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.6 m-20 -134.11 77.43 61.51 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.295 -0.878 . . . . 2.54 110.412 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -72.17 38.54 0.37 Allowed 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.16 1.24 . . . . 1.09 109.235 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 57' ' ' ASP . 94.6 m-20 -68.02 -42.98 79.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.012 -1.055 . . . . 2.89 110.543 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -80.41 -35.22 35.46 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.151 -0.968 . . . . 3.15 109.001 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.5 t -67.09 -40.3 85.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.739 -0.601 . . . . 0.8 110.121 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.56 97.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.84 109.526 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -61.23 -41.84 97.56 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.211 -0.996 . . . . 3.69 108.521 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -68.46 -39.96 81.23 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.112 -0.992 . . . . 3.46 109.73 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -62.24 -37.55 85.86 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.303 -0.999 . . . . 1.08 108.303 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.28 -32.53 80.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.161 -1.576 . . . . 1.09 109.161 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.75 -22.21 64.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.324 -1.104 . . . . 2.71 110.023 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.511 HH22 ' CA ' ' A' ' 24' ' ' PRO . 25.4 tpt180 -57.78 -43.69 85.73 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.355 -0.84 . . . . 3.88 109.535 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -98.55 23.49 8.52 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.685 -0.634 . . . . 2.56 109.675 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 56.91 50.33 12.46 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.566 -0.709 . . . . 3.49 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -120.42 149.47 49.91 Favored Pre-proline 0 N--CA 1.504 2.25 0 N-CA-C 108.456 -0.942 . . . . 2.35 108.456 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.4 -83.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.726 0 N-CA-C 109.125 -1.144 . . . . 2.96 109.125 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -136.02 140.21 43.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.403 -0.81 . . . . 5.24 109.139 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -130.87 151.94 50.74 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.912 -0.773 . . . . 2.41 108.912 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -70.03 162.4 28.23 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.339 -0.851 . . . . 1.48 111.187 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.575 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 88.3 t80 -76.37 -16.58 59.7 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.915 -1.143 . . . . 1.07 107.915 178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' OE2' ' N4 ' ' B' ' 7' ' ' ' DC' . 41.8 tp10 -58.21 -30.1 66.22 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.752 -0.833 . . . . 2.53 108.752 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 51.8 pttt -59.89 -36.05 76.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 4.23 109.538 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.0 mt -67.57 -36.72 81.46 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.991 -0.684 . . . . 1.17 109.323 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 77' ' ' GLU . 71.6 p -61.21 -36.91 81.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.104 -0.998 . . . . 1.39 109.835 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.602 ' NH2' ' N3 ' ' B' ' 7' ' ' ' DC' . 19.4 mmt180 -83.12 -31.14 27.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.957 -1.089 . . . . 4.74 109.689 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.9 -40.92 6.91 Favored Glycine 0 N--CA 1.495 2.633 0 O-C-N 120.85 -1.156 . . . . 0.8 110.881 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.63 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -69.93 -42.81 72.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.822 -1.399 . . . . 1.57 110.902 -178.442 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.608 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -59.97 -36.98 78.3 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.002 -1.686 . . . . 2.34 109.42 -178.715 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -69.82 -11.98 61.28 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.363 -0.836 . . . . 1.39 109.376 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.498 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.9 t80 -75.6 1.13 15.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.849 . . . . 1.27 110.186 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.524 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.7 m-85 -67.22 3.8 1.11 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.961 -1.087 . . . . 1.65 109.122 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 86' ' ' TYR . 79.8 m-20 -68.36 -33.0 73.49 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.99 -1.069 . . . . 2.74 108.368 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -116.61 134.05 55.29 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.071 -1.085 . . . . 2.52 108.071 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 31.5 p-10 -80.23 88.9 5.46 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.053 -1.03 . . . . 2.8 109.102 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.5 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -136.63 -48.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.124 -1.436 . . . . 1.28 107.124 179.509 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.499 HD12 ' CE2' ' A' ' 104' ' ' PHE . 10.4 tt -133.49 128.07 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 1.09 109.489 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -122.77 137.69 54.85 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.717 0.77 . . . . 1.79 109.039 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 3.5 ttmp? -74.97 140.09 43.41 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.602 -0.888 . . . . 2.83 108.602 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.9 m -88.85 131.67 34.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 1.24 109.636 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.11 33.13 0.49 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.046 -1.034 . . . . 2.47 109.323 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.6 -72.49 1.24 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.679 -1.769 . . . . 2.32 108.679 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -111.62 -119.81 0.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.623 -0.928 . . . . 3.6 108.94 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.535 ' CG ' HH11 ' A' ' 99' ' ' ARG . 0.5 OUTLIER -131.95 -39.52 1.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.266 -0.896 . . . . 5.66 110.688 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -102.65 26.76 7.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.232 -0.918 . . . . 1.27 110.05 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 101' ' ' VAL . 6.0 m -90.39 120.53 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 CA-C-O 122.231 1.015 . . . . 1.14 110.679 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.575 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 5.4 m-85 -113.56 135.29 54.06 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.393 -0.966 . . . . 1.23 108.393 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -146.78 158.92 44.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.129 -0.982 . . . . 2.9 108.523 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.499 ' CE2' HD12 ' A' ' 92' ' ' ILE . 48.6 m-85 -118.73 155.03 31.81 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.339 0.59 . . . . 1.16 109.909 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.948 -1.025 . . . . 1.98 109.101 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.471 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.502 1 O4'-C1'-N19 111.414 4.518 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 1 O4'-C1'-N19 111.095 4.119 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.289 4.361 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 0 O4'-C1'-N19 110.827 3.784 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.111 1 O4'-C1'-N19 111.946 5.182 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.488 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.493 0 O4'-C1'-N19 110.602 3.503 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.488 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.278 1 O4'-C1'-N19 111.082 4.103 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.57 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.41 4.512 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.57 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.706 1 O4'-C1'-N19 111.567 4.708 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.798 4.997 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.471 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.354 4.442 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.471 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.151 1 O4'-C1'-N19 111.99 5.237 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.43 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 111.393 4.491 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.43 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.121 1 O4'-C1'-N19 111.126 4.157 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.426 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.103 0 O4'-C1'-N19 110.114 2.893 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.426 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 111.378 4.472 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.257 4.321 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.776 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.876 3.845 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 1 O4'-C1'-N19 111.034 4.042 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 1 O4'-C1'-N19 111.093 4.116 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.477 ' C6 ' ' N6 ' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.076 1 O4'-C1'-N19 111.142 4.177 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.477 ' N6 ' ' C6 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.977 0 O4'-C1'-N19 110.829 3.786 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.163 1 O4'-C1'-N19 111.512 4.64 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.486 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.994 0 O4'-C1'-N19 110.873 3.841 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.486 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.584 1 O4'-C1'-N19 111.672 4.841 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.565 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.997 1 O4'-C1'-N19 111.101 4.126 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.622 ' N4 ' HH21 ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.297 0 O4'-C1'-N19 110.655 3.569 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.519 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.419 1 O4'-C1'-N19 111.619 4.774 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.938 5.173 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.413 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.831 1 O4'-C1'-N19 111.013 4.017 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.413 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-N19 110.981 3.976 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.362 3.202 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.503 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.784 3.73 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.503 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.662 0 O4'-C1'-N19 110.968 3.96 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.367 -0.605 . . . . 3.34 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.6 tp -137.92 63.06 36.64 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.663 -0.866 . . . . 3.52 108.663 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' LEU . 13.9 Cg_endo -69.53 -1.92 9.12 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.09 1.193 . . . . 3.56 109.024 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.68 -55.91 8.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.335 -0.853 . . . . 2.93 109.917 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -29.69 69.12 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.429 -0.794 . . . . 3.29 109.093 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.88 -11.06 54.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.522 -0.736 . . . . 2.93 110.376 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.593 HD21 ' OD2' ' A' ' 37' ' ' ASP . 44.2 mt -85.05 -17.35 37.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.061 -1.024 . . . . 3.23 109.401 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -78.71 -111.74 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.12 -1.067 . . . . 3.32 108.12 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.48 -22.38 0.23 Allowed Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.749 -1.215 . . . . 3.34 110.187 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.545 ' OH ' ' NH1' ' A' ' 68' ' ' ARG . 33.7 p90 -68.75 176.67 2.89 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.73 -1.453 . . . . 3.66 109.0 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.434 ' H ' HG22 ' A' ' 20' ' ' THR . 0.1 OUTLIER -84.84 122.1 28.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.956 -1.09 . . . . 4.79 109.785 -178.012 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.46 60.16 1.18 Allowed Glycine 0 N--CA 1.483 1.798 0 N-CA-C 110.162 -1.175 . . . . 5.2 110.162 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -104.21 80.15 1.68 Allowed 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 107.377 -1.342 . . . . 4.83 107.377 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.59 171.58 47.16 Favored Glycine 0 N--CA 1.484 1.889 0 N-CA-C 108.607 -1.797 . . . . 3.71 108.607 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.77 139.77 82.18 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.402 1.401 . . . . 3.25 109.839 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 11.6 tt -74.67 179.87 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 107.855 -1.165 . . . . 2.8 107.855 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.564 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -76.59 140.28 40.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.554 -1.341 . . . . 1.66 108.31 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.3 tt -62.46 -53.62 52.21 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.418 0.896 . . . . 1.54 113.418 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.5 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.7 p-90 -76.54 -34.11 58.53 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.557 -1.34 . . . . 1.16 111.605 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -59.98 -39.23 84.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 2.34 108.266 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -73.19 -50.61 21.55 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.8 . . . . 0.86 109.185 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.07 -42.66 95.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.06 -1.025 . . . . 1.52 109.478 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.07 -43.63 98.43 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.077 -1.015 . . . . 1.91 109.413 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.16 -44.35 95.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.161 -0.962 . . . . 2.46 109.457 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.68 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.6 tm? -69.31 -42.91 74.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.252 -0.905 . . . . 1.54 110.017 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 53' ' ' PHE . 8.6 tt -61.21 -33.69 73.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.328 -0.857 . . . . 1.45 110.626 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.0 p -103.33 8.98 38.17 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.868 -1.145 . . . . 1.68 111.939 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.593 ' OD2' HD21 ' A' ' 16' ' ' LEU . 65.6 t0 -107.61 -73.09 0.7 Allowed 'General case' 0 N--CA 1.508 2.472 0 O-C-N 120.799 -1.188 . . . . 3.08 111.241 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.78 159.73 1.57 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.108 -0.995 . . . . 3.33 109.512 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.536 ' OG ' ' N ' ' A' ' 40' ' ' CYS . 19.2 t -67.25 -132.15 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.076 -1.083 . . . . 2.66 108.076 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.536 ' N ' ' OG ' ' A' ' 39' ' ' SER . 24.5 p -171.42 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.933 -1.105 . . . . 2.22 110.181 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -71.68 63.56 0.43 Allowed 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.33 -0.856 . . . . 3.09 109.613 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' CYS . 45.4 t -163.16 -49.8 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.933 -0.765 . . . . 2.41 108.933 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -126.84 -0.11 6.66 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 1.56 110.321 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.5 ' CG1' ' H ' ' A' ' 45' ' ' SER . 10.3 tt -162.58 -176.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.643 -1.286 . . . . 1.14 110.167 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.5 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 78.6 p -130.98 126.66 36.59 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.771 -1.205 . . . . 1.71 110.553 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.52 110.39 19.18 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.339 -1.356 . . . . 1.46 107.339 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -62.66 152.02 36.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.693 -1.254 . . . . 2.04 109.693 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.04 30.4 9.4 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.988 -1.245 . . . . 1.95 109.988 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -108.01 -108.38 0.32 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.251 -1.147 . . . . 3.56 109.434 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.27 -104.46 0.43 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.92 -1.672 . . . . 1.32 108.92 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -139.2 58.03 1.64 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.464 -1.021 . . . . 1.06 108.854 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -100.55 121.27 41.3 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.261 -1.014 . . . . 2.5 108.261 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.469 ' CD2' HD11 ' A' ' 35' ' ' LEU . 54.0 t80 -118.27 125.65 50.53 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.588 -0.695 . . . . 0.82 110.497 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' C ' HD12 ' A' ' 55' ' ' LEU . 8.9 mtmp? -116.85 137.72 52.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.463 -0.773 . . . . 2.34 111.049 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.3 mp -97.58 103.2 15.12 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.586 -0.696 . . . . 1.3 110.061 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -78.76 -66.06 0.91 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 1.6 109.836 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -144.22 81.65 11.32 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.552 -0.718 . . . . 2.54 109.798 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.96 55.04 5.13 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 121.371 1.38 . . . . 1.09 109.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.74 -39.37 70.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.194 . . . . 2.89 110.0 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.62 -40.39 61.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.834 -1.166 . . . . 3.15 109.054 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -63.98 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.637 -0.664 . . . . 0.8 110.099 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.86 95.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.967 -1.083 . . . . 0.84 109.554 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.15 -43.94 95.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.969 -1.082 . . . . 3.69 109.514 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 9.1 mpt_? -66.76 -39.69 87.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.109 -0.995 . . . . 3.46 109.613 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -59.31 -42.32 91.1 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.274 -0.891 . . . . 1.08 110.149 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.35 -23.17 77.62 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.695 -1.241 . . . . 1.09 110.113 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -66.31 -44.05 84.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -1.199 . . . . 2.71 110.086 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.545 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -63.48 -15.73 58.61 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.141 -0.975 . . . . 3.88 110.037 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -92.75 9.08 36.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.202 -0.936 . . . . 2.56 109.11 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 58.74 35.91 24.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 3.49 109.296 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' PRO . 32.2 mtmm -143.67 155.04 60.12 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.495 -0.753 . . . . 2.35 109.272 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.4 Cg_exo -53.28 -157.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.899 0 C-N-CA 121.811 1.674 . . . . 2.96 110.649 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -87.69 140.88 29.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 5.24 109.378 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.6 mtp -122.89 160.86 25.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.794 -0.817 . . . . 2.41 108.794 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.445 ' CG ' ' HZ3' ' A' ' 78' ' ' LYS . 46.9 p30 -64.9 163.96 13.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.909 -1.119 . . . . 1.48 110.074 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.582 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 53.3 t80 -67.06 -12.56 60.27 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.668 -0.645 . . . . 1.07 110.154 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' OE1' ' ND2' ' A' ' 75' ' ' ASN . 94.8 mt-10 -59.26 -36.94 76.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.188 -0.945 . . . . 2.53 110.309 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HZ3' ' CG ' ' A' ' 75' ' ' ASN . 12.6 mptt -57.52 -36.0 70.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.839 -1.163 . . . . 4.23 109.038 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.39 -41.97 79.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.928 . . . . 1.17 109.374 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -69.31 -35.09 75.62 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.99 -1.069 . . . . 1.39 108.594 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.622 HH21 ' N4 ' ' C' ' 27' ' ' ' DC' . 8.0 mtp180 -78.04 -43.07 30.38 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.499 -0.75 . . . . 4.74 111.467 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.32 -42.64 8.46 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.761 -1.212 . . . . 0.8 111.156 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.761 ' O ' HD23 ' A' ' 83' ' ' LEU . 4.8 tt -66.75 -41.36 87.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.038 -1.272 . . . . 1.57 110.495 -178.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' NH2' ' N7 ' ' B' ' 9' ' ' ' DG' . 4.6 ppt_? -53.74 -33.91 57.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.476 -1.39 . . . . 2.34 109.505 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -77.03 -7.42 55.63 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 1.39 109.757 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.495 ' CE2' HD22 ' A' ' 27' ' ' LEU . 3.1 t80 -72.99 6.35 2.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 1.27 110.161 -177.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.9 m-85 -69.75 8.91 0.59 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.896 -1.127 . . . . 1.65 109.407 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 86' ' ' TYR . 76.7 m-20 -70.36 -39.98 74.3 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.725 -1.213 . . . . 2.74 107.725 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -110.14 133.18 53.48 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.056 -1.09 . . . . 2.52 108.056 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -78.02 89.9 4.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.933 -1.104 . . . . 2.8 108.828 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -138.27 -44.9 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.719 -0.845 . . . . 1.28 108.719 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 83' ' ' LEU . 5.8 tt -137.41 137.24 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.238 -0.914 . . . . 1.09 109.497 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 14.7 m-70 -131.93 163.94 27.24 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 109.071 -0.715 . . . . 1.79 109.071 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -100.04 139.56 35.54 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.16 -0.963 . . . . 2.83 109.14 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -89.81 132.0 35.47 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.83 -1.169 . . . . 1.24 109.345 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.37 32.61 0.45 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.242 -0.911 . . . . 2.47 109.328 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.07 -76.26 0.96 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.92 -1.672 . . . . 2.32 108.92 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -110.27 -117.87 0.29 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.635 -0.921 . . . . 3.6 108.528 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -134.26 -31.41 1.11 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.02 -1.05 . . . . 5.66 110.176 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -104.67 24.4 11.82 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.223 -0.923 . . . . 1.27 109.398 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.99 124.05 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.939 -1.101 . . . . 1.14 110.459 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 12.3 m-85 -120.24 149.18 42.68 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 108.586 -0.894 . . . . 1.23 108.586 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -151.24 158.71 44.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.038 -1.039 . . . . 2.9 109.993 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' A' ' 92' ' ' ILE . 19.1 m-85 -129.23 158.23 39.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.528 -0.732 . . . . 1.16 109.925 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.498 1.969 0 CA-C-O 117.956 -1.021 . . . . 1.98 109.393 -179.635 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.816 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.123 4.153 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.168 1 O4'-C1'-N19 111.279 4.349 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.406 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.636 1 O4'-C1'-N19 111.008 4.01 . . . . 1.42 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.406 ' C2 ' ' C2 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.524 1 O4'-C1'-N19 111.269 4.336 . . . . 1.3 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.403 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.878 1 O4'-C1'-N19 111.678 4.847 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.403 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.418 0 O4'-C1'-N19 110.691 3.614 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.601 H2'' " O5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.547 4.534 1 O4'-C1'-N19 111.334 4.418 . . . . 1.38 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.601 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.945 5.181 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.591 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 112.245 5.557 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.415 1 O4'-C1'-N19 111.578 4.722 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.479 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.492 4.615 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.479 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.644 4.805 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.04 1 O4'-C1'-N19 111.089 4.111 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.019 1 O4'-C1'-N19 111.072 4.09 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.509 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.539 0 C3'-C2'-C1' 107.001 3.072 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.509 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.016 0 O4'-C1'-N19 110.926 3.908 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.297 4.372 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.855 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.467 0 O4'-C1'-N19 110.852 3.815 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.429 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.17 0 O4'-C1'-N19 110.32 3.15 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.245 4.307 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 1 O4'-C1'-N19 111.222 4.277 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 1 O4'-C1'-N19 111.25 4.312 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.667 4.833 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.445 " C3'" ' HZ3' ' A' ' 69' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.253 0 C3'-C2'-C1' 107.333 3.309 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.686 4.858 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.467 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.968 1 O4'-C1'-N19 111.258 4.323 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.467 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.435 3.294 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.431 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 1 O4'-C1'-N19 111.148 4.185 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 112.086 5.358 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.451 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.478 1 O4'-C1'-N19 111.129 4.162 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.451 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.058 1 O4'-C1'-N19 111.314 4.393 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.475 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.447 3.309 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.418 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.157 4.196 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.418 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.346 0 O4'-C1'-N19 110.859 3.824 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 10' ' ' VAL . 28.5 m . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.739 0.781 . . . . 3.34 109.648 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 1.4 tp -142.36 45.45 0.65 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.015 -1.053 . . . . 3.52 109.651 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 12.1 Cg_endo -66.83 -6.92 16.88 Favored 'Trans proline' 0 C--O 1.209 -0.971 0 C-N-CA 121.217 1.278 . . . . 3.56 109.536 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.79 84.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.21 -0.931 . . . . 2.93 109.896 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.2 81.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 3.29 109.732 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.29 -18.84 26.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.065 -1.022 . . . . 2.93 110.098 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' PRO . 56.7 tp -80.18 -49.19 12.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.994 -1.066 . . . . 3.23 109.203 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -82.05 -9.09 59.66 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.339 -0.85 . . . . 3.32 109.283 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.43 -8.04 3.25 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.93 -1.668 . . . . 3.34 108.93 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' H ' ' C ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -74.24 113.42 11.43 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.569 -0.96 . . . . 3.66 109.192 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.9 p -91.66 173.33 7.94 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.399 -0.813 . . . . 4.79 108.969 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.18 78.49 0.16 Allowed Glycine 0 N--CA 1.49 2.3 0 C-N-CA 120.114 -1.041 . . . . 5.2 110.616 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 t -125.69 84.76 2.31 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.418 -1.048 . . . . 4.83 109.135 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.7 160.11 19.4 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 108.682 -1.767 . . . . 3.71 108.682 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -66.49 124.67 12.75 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.098 1.199 . . . . 3.25 110.742 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.585 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 6.6 tt -79.07 -172.55 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 108.015 -1.106 . . . . 2.8 108.015 177.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.585 ' H ' ' CG1' ' A' ' 25' ' ' ILE . 4.4 tm0? -79.05 157.35 28.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.637 -1.289 . . . . 1.66 109.054 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.57 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -70.15 -66.08 0.64 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.136 -0.978 . . . . 1.54 111.432 -178.351 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 53.6 p-90 -68.46 -29.85 68.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.769 -1.207 . . . . 1.16 111.878 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.221 -1.549 . . . . 2.34 107.417 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CZ ' ' NH1' ' A' ' 64' ' ' ARG . 31.9 t80 -69.3 -54.52 14.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.583 0.706 . . . . 0.86 109.843 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.17 -43.41 95.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 1.52 109.301 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.83 -43.43 93.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 1.91 109.644 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -61.62 -42.68 99.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.105 -0.997 . . . . 2.46 109.185 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.97 -40.16 83.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.398 -0.814 . . . . 1.54 109.308 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.457 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 5.6 mp -59.72 -43.78 94.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.966 -1.084 . . . . 1.45 108.578 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -94.56 63.28 2.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.316 -0.865 . . . . 1.68 109.701 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 55.4 t0 -131.94 -135.62 0.19 Allowed 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.409 -0.96 . . . . 3.08 108.409 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.522 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -62.47 -165.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.255 -0.903 . . . . 3.33 108.778 179.635 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.601 ' C ' ' H ' ' A' ' 41' ' ' GLN . 71.0 m -67.7 -44.75 76.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.677 -1.264 . . . . 2.66 110.957 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 44' ' ' ILE . 24.2 t 58.34 -1.34 0.1 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.203 -0.936 . . . . 2.22 108.898 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.601 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.9 tt0 -60.09 -37.78 80.96 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.511 -0.743 . . . . 3.09 110.641 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -78.39 -12.95 60.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 2.41 110.046 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -110.06 -11.39 14.63 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.402 -0.811 . . . . 1.56 109.863 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.62 HD11 ' HG ' ' A' ' 55' ' ' LEU . 8.3 tt -162.3 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.051 -1.031 . . . . 1.14 108.819 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.428 ' H ' HG12 ' A' ' 44' ' ' ILE . 8.9 p -115.67 103.67 10.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.197 -0.939 . . . . 1.71 110.227 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -102.92 109.77 21.45 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.288 -1.745 . . . . 1.46 106.288 178.144 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -67.75 150.95 48.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.867 -1.146 . . . . 2.04 109.61 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.2 39.4 2.88 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.149 -1.58 . . . . 1.95 109.149 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -109.62 -114.32 0.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.373 -0.973 . . . . 3.56 108.373 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.47 -98.28 0.64 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.319 -1.512 . . . . 1.32 109.319 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.424 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 66.3 t-105 -139.76 57.85 1.62 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.375 -1.074 . . . . 1.06 108.773 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -104.01 113.21 26.58 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.611 -0.885 . . . . 2.5 108.611 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 52.7 t80 -107.42 124.96 50.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.706 -0.621 . . . . 0.82 109.401 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -119.63 130.54 55.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.64 -0.662 . . . . 2.34 109.564 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 44' ' ' ILE . 8.8 mp -88.73 94.85 10.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 1.3 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 m -78.06 -58.89 3.02 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.408 -0.808 . . . . 1.6 111.368 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -140.14 78.27 23.97 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.161 -0.962 . . . . 2.54 110.901 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -75.05 57.18 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 N-CA-C 108.513 -1.38 . . . . 1.09 108.513 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.64 -49.47 53.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.005 -1.06 . . . . 2.89 109.772 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.41 -34.68 54.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 3.15 108.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.29 -46.48 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.406 0.622 . . . . 0.8 109.593 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -52.54 64.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.411 -0.806 . . . . 0.84 109.573 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.497 HH11 ' HG2' ' A' ' 63' ' ' ARG . 44.2 mtt-85 -66.07 -42.54 89.26 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.66 -0.65 . . . . 3.69 110.873 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' NH1' ' CZ ' ' A' ' 30' ' ' PHE . 6.2 tmm_? -62.91 -42.34 99.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.023 -1.048 . . . . 3.46 110.304 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.429 ' HZ2' HD21 ' A' ' 27' ' ' LEU . 14.8 t-105 -50.53 -45.41 56.78 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.256 -0.902 . . . . 1.08 109.52 -178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.94 -18.6 57.71 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.34 -0.933 . . . . 1.09 111.146 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.24 -44.28 95.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.797 -1.413 . . . . 2.71 108.962 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -62.92 -21.37 65.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.149 -0.969 . . . . 3.88 108.386 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HZ3' " C3'" ' C' ' 24' ' ' ' DT' . 96.1 mttt -101.05 12.09 38.32 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.489 -0.757 . . . . 2.56 109.931 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 57.16 53.92 7.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.612 -0.884 . . . . 3.49 108.612 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.26 83.13 22.39 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.324 -0.86 . . . . 2.35 109.09 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -55.0 -20.34 22.89 Favored 'Trans proline' 0 C--N 1.321 -0.906 0 C-N-CA 121.477 1.451 . . . . 2.96 110.084 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -102.86 118.35 36.64 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.326 -0.99 . . . . 5.24 108.326 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.5 mmt -129.53 85.77 2.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 2.41 110.053 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.574 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 22.8 t-20 -67.17 143.1 56.77 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.465 -0.939 . . . . 1.48 108.465 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.521 ' OH ' HD22 ' A' ' 55' ' ' LEU . 34.7 t80 -65.58 -29.68 70.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.983 -1.073 . . . . 1.07 109.389 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.574 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 51.1 tt0 -59.58 -35.16 73.74 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.12 -1.067 . . . . 2.53 108.12 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -54.91 -40.19 69.57 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 119.488 -0.885 . . . . 4.23 109.405 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.44 -38.3 77.77 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.207 -0.933 . . . . 1.17 108.646 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 80.8 p -63.59 -37.76 88.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.846 -1.159 . . . . 1.39 108.237 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' NH1' ' H41' ' C' ' 27' ' ' ' DC' . 92.0 mtt180 -67.54 -40.32 85.01 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.115 -1.068 . . . . 4.74 108.115 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.14 -52.04 20.15 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.809 -1.716 . . . . 0.8 108.809 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 102' ' ' TYR . 2.9 mt -67.2 -32.25 73.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -1.125 . . . . 1.57 109.624 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.603 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -48.2 -49.62 32.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.99 . . . . 2.34 108.929 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -79.99 -23.47 41.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.567 -0.708 . . . . 1.39 111.2 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -74.53 68.1 1.57 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 1.27 110.42 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.468 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 17.5 m-85 -136.06 12.77 3.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.29 -1.004 . . . . 1.65 108.29 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.73 -32.48 65.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.384 -0.823 . . . . 2.74 109.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 91' ' ' ILE . 57.8 mtpt -106.63 141.72 37.44 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.641 -0.874 . . . . 2.52 108.641 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 90' ' ' ASN . 17.6 p-10 -76.12 89.27 3.04 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.952 -1.129 . . . . 2.8 107.952 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.994 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -132.86 -85.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 115.852 -0.613 . . . . 1.28 110.27 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.994 ' H ' HG23 ' A' ' 91' ' ' ILE . 10.4 tt -107.03 135.57 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.291 -0.881 . . . . 1.09 110.063 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -130.26 156.99 43.73 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.486 -0.931 . . . . 1.79 108.486 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 40.8 mttp -82.94 140.03 33.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.273 -0.892 . . . . 2.83 109.725 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.1 m -94.87 131.31 40.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.341 -0.849 . . . . 1.24 109.106 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.43 28.3 0.15 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.077 -1.014 . . . . 2.47 110.1 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -76.9 -80.96 0.61 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.917 -1.273 . . . . 2.32 109.917 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.431 ' H ' HG21 ' A' ' 101' ' ' VAL . 21.4 tptp -106.13 -115.44 0.25 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.291 -1.123 . . . . 3.6 108.576 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -131.32 -39.65 1.15 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.303 -0.873 . . . . 5.66 109.437 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.79 29.43 5.81 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.571 -0.706 . . . . 1.27 109.755 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.431 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.4 m -91.2 128.17 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -0.949 . . . . 1.14 110.232 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.456 ' CE1' HD13 ' A' ' 83' ' ' LEU . 14.8 m-85 -129.23 151.61 49.71 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.323 -0.861 . . . . 1.23 109.723 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -148.82 162.33 40.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 2.9 109.021 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 16.7 m-85 -130.05 159.83 35.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.435 -0.791 . . . . 1.16 109.115 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 117.934 -1.031 . . . . 1.98 109.823 -179.254 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 111.161 4.201 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.023 1 O4'-C1'-N19 111.052 4.066 . . . . 1.68 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.096 1 O4'-C1'-N19 111.065 4.081 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.288 0 O4'-C1'-N19 110.912 3.891 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.611 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.95 3.938 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.611 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.607 1 O4'-C1'-N19 112.179 5.474 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.539 ' OP2' H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.122 0 O4'-C1'-N19 110.921 3.902 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.465 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.556 1 O4'-C1'-N19 111.366 4.458 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.426 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.537 1 O4'-C1'-N19 112.029 5.286 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.984 3.98 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.483 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.616 0 O4'-C1'-N19 110.998 3.998 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.483 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 111.735 4.919 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.506 1 O4'-C1'-N19 111.725 4.907 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.506 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.343 4.428 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.537 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.68 0 C3'-C2'-C1' 106.819 2.942 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.537 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.664 1 O4'-C1'-N19 111.169 4.211 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 O4'-C1'-N19 110.929 3.911 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.798 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.232 0 O4'-C1'-N19 110.863 3.828 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.402 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O4'-C1'-N19 110.557 3.447 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.402 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.456 4.57 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.523 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.986 3.982 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.523 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.279 0 O4'-C1'-N19 110.96 3.951 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.792 1 O4'-C1'-N19 111.626 4.783 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.402 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.3 3.125 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.513 ' O4 ' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.602 4.753 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.497 " O5'" H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.687 4.858 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.532 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.151 0 C3'-C2'-C1' 106.963 3.045 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.532 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.241 4.302 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.468 ' N2 ' ' C4 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.222 1 O4'-C1'-N19 112.044 5.305 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.515 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.921 0 O4'-C1'-N19 110.942 3.928 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.515 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.315 1 O4'-C1'-N19 111.587 4.734 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.499 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.477 0 O4'-C1'-N19 110.33 3.163 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.523 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.669 3.586 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.523 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.056 1 O4'-C1'-N19 111.216 4.27 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 10' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.888 0.851 . . . . 3.34 109.239 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.697 ' O ' HG23 ' A' ' 11' ' ' ILE . 11.2 tp -140.14 55.62 6.62 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 120.906 -1.121 . . . . 3.52 109.316 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 11.0 Cg_endo -66.03 -14.97 46.91 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 N-CA-C 108.053 -1.556 . . . . 3.56 108.053 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -50.51 73.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.721 -0.612 . . . . 2.93 109.668 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.6 -28.57 67.87 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.225 -0.922 . . . . 3.29 108.669 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.29 -37.44 32.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.627 -0.671 . . . . 2.93 110.653 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -85.64 -14.49 45.4 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.992 -1.067 . . . . 3.23 109.775 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.54 -56.26 3.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.071 -1.018 . . . . 3.32 110.729 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.17 27.61 62.95 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 108.845 -1.702 . . . . 3.34 108.845 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.75 141.92 53.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.582 -0.952 . . . . 3.66 109.145 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 22' ' ' SER . 9.0 t -86.94 166.18 15.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.089 -1.007 . . . . 4.79 109.375 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.02 3.26 58.07 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.426 -1.07 . . . . 5.2 110.426 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.512 ' H ' HG23 ' A' ' 20' ' ' THR . 67.9 p -111.67 142.53 43.88 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.352 -1.087 . . . . 4.83 108.789 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.97 91.82 0.51 Allowed Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.065 -1.614 . . . . 3.71 109.065 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -55.18 144.61 69.51 Favored 'Trans proline' 0 C--O 1.214 -0.68 0 C-N-CA 120.935 1.09 . . . . 3.25 110.212 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 26' ' ' GLN . 33.4 mt -75.97 162.56 4.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 109.128 -0.693 . . . . 2.8 109.128 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.589 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.1 tm0? -86.36 144.76 27.18 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.052 -1.462 . . . . 1.66 107.052 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.7 tt -56.6 -51.49 68.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.002 -1.062 . . . . 1.54 112.154 -177.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.546 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.8 p-90 -77.01 -35.36 57.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.591 -1.318 . . . . 1.16 111.218 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -58.24 -40.16 80.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.229 -1.545 . . . . 2.34 106.987 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.42 -52.43 32.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.771 -0.581 . . . . 0.86 110.54 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.5 tp -64.46 -41.01 96.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.158 -0.964 . . . . 1.52 109.866 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.43 -40.42 95.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.892 -1.13 . . . . 1.91 109.365 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -58.32 -47.45 83.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.634 -1.291 . . . . 2.46 108.805 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.8 tp -68.21 -30.3 69.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 1.54 109.504 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.553 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 12.2 tp -50.7 -44.01 57.93 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.551 -0.718 . . . . 1.45 110.048 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.07 76.22 1.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.881 -1.137 . . . . 1.68 111.29 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -124.79 -63.56 1.16 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.019 -0.734 . . . . 3.08 109.019 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' NZ ' ' CD2' ' A' ' 43' ' ' PHE . 41.6 pttt -103.51 -160.54 0.78 Allowed 'General case' 0 N--CA 1.508 2.446 0 O-C-N 121.276 -0.89 . . . . 3.33 110.874 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -69.03 -38.66 79.29 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.337 -0.852 . . . . 2.66 109.466 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.7 m 54.5 27.41 8.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.528 -0.733 . . . . 2.22 109.786 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -96.89 -44.36 7.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.379 -0.825 . . . . 3.09 109.972 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.463 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p -78.48 -15.18 58.89 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.261 -0.899 . . . . 2.41 110.913 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 87.9 m-85 -111.46 -15.1 13.61 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.197 -0.939 . . . . 1.56 110.186 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG1' ' H ' ' A' ' 45' ' ' SER . 13.9 tt -168.5 -176.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 108.079 -1.082 . . . . 1.14 108.079 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.424 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 34.0 m -122.88 123.91 42.04 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.94 -1.1 . . . . 1.71 110.564 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.553 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -112.45 109.73 19.5 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 107.523 -1.288 . . . . 1.46 107.523 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -63.12 145.5 55.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.501 -1.375 . . . . 2.04 109.417 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.84 37.07 4.0 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 109.882 -1.287 . . . . 1.95 109.882 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -117.43 -102.78 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.407 -1.055 . . . . 3.56 110.153 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.86 -108.09 0.84 Allowed Glycine 0 N--CA 1.496 2.645 0 N-CA-C 108.943 -1.663 . . . . 1.32 108.943 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -138.61 85.01 2.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.43 -1.041 . . . . 1.06 108.669 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -131.22 131.13 43.73 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.807 -0.812 . . . . 2.5 108.807 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.459 ' O ' ' O ' ' A' ' 102' ' ' TYR . 37.4 t80 -129.58 129.7 44.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.82 109.275 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -126.6 136.28 52.33 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.243 -0.911 . . . . 2.34 109.305 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.4 mp -91.4 100.36 13.16 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 121.375 0.607 . . . . 1.3 110.482 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -78.66 -58.81 3.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.927 . . . . 1.6 110.093 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -139.64 77.32 28.27 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.022 -1.048 . . . . 2.54 110.82 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -74.52 42.14 0.76 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.444 1.429 . . . . 1.09 110.464 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.77 -44.1 74.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.685 -1.259 . . . . 2.89 109.212 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -71.27 -43.16 67.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.223 -0.923 . . . . 3.15 108.68 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' TRP . 38.0 t -67.55 -47.61 79.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.78 -0.575 . . . . 0.8 109.885 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.06 83.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.107 . . . . 0.84 109.06 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.03 -43.18 99.39 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.774 -1.204 . . . . 3.69 107.903 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.663 ' HE ' ' NH2' ' A' ' 68' ' ' ARG . 69.1 ttt180 -65.85 -39.37 90.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 3.46 109.125 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' VAL . 54.5 t-105 -58.82 -41.07 85.98 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.606 0.717 . . . . 1.08 109.095 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.89 -13.5 71.98 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.828 -1.309 . . . . 1.09 109.828 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.58 -40.74 96.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.155 -1.203 . . . . 2.71 109.145 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.663 ' NH2' ' HE ' ' A' ' 64' ' ' ARG . 11.2 mpt_? -60.53 -31.22 70.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.865 . . . . 3.88 109.548 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -88.79 1.11 55.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.949 -1.094 . . . . 2.56 108.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 60.91 27.98 17.79 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.835 -0.541 . . . . 3.49 111.648 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.57 160.0 30.49 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 120.973 -1.079 . . . . 2.35 108.646 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.515 ' O ' ' SD ' ' A' ' 74' ' ' MET . 4.0 Cg_endo -61.98 -153.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.212 -0.821 0 N-CA-C 108.361 -1.438 . . . . 2.96 108.361 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -92.47 126.63 37.64 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.939 -1.134 . . . . 5.24 107.939 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 72' ' ' PRO . 4.4 mpp? -115.87 159.96 20.82 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 109.032 -0.729 . . . . 2.41 109.032 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 p30 -69.38 156.34 38.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.257 -0.902 . . . . 1.48 110.532 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.566 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 81.9 t80 -69.39 -17.35 63.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 1.07 110.071 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -53.67 -35.86 61.52 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.269 -0.894 . . . . 2.53 110.156 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -57.67 -35.53 70.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.149 -0.969 . . . . 4.23 109.579 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.35 -46.4 76.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.982 -1.074 . . . . 1.17 109.096 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -60.86 -39.84 90.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.816 -1.177 . . . . 1.39 108.152 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.513 ' NH2' ' O4 ' ' C' ' 25' ' ' ' DT' . 0.0 OUTLIER -75.49 -44.11 45.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.415 -0.803 . . . . 4.74 109.637 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.12 -47.37 59.67 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.789 -0.924 . . . . 0.8 110.789 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 92' ' ' ILE . 1.6 tp -62.26 -35.34 78.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.952 -1.322 . . . . 1.57 108.898 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.465 ' NE ' ' OP2' ' B' ' 8' ' ' ' DG' . 2.3 tmt_? -52.45 -43.82 65.15 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.292 -0.88 . . . . 2.34 109.554 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.42 ' HB2' HH12 ' A' ' 81' ' ' ARG . 54.3 t80 -71.58 -17.01 62.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.39 109.154 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.5 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 12.1 t80 -77.2 14.82 0.83 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.437 -0.789 . . . . 1.27 110.923 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.562 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.4 m-85 -87.25 18.36 3.78 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.988 -1.07 . . . . 1.65 108.956 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.59 -29.58 61.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.96 -1.087 . . . . 2.74 108.31 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -111.76 139.89 46.85 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.394 -0.965 . . . . 2.52 108.394 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -76.51 90.59 3.3 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.93 -1.106 . . . . 2.8 108.622 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.958 HG23 ' H ' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -138.02 -89.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 115.741 -0.663 . . . . 1.28 109.606 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.958 ' H ' HG23 ' A' ' 91' ' ' ILE . 9.3 tt -98.28 133.72 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.18 -0.95 . . . . 1.09 111.238 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -128.77 152.3 48.6 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.964 -0.754 . . . . 1.79 108.964 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.562 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 3.0 pptp? -103.84 147.73 26.96 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.994 -1.067 . . . . 2.83 110.076 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 97' ' ' GLY . 89.9 m -88.64 132.08 34.71 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.952 -0.758 . . . . 1.24 108.952 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.99 16.17 3.01 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.276 -0.89 . . . . 2.47 110.863 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.693 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.18 -38.39 29.8 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 119.539 -1.315 . . . . 2.32 109.957 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -127.34 -134.32 0.24 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.361 -1.082 . . . . 3.6 108.161 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 -30.41 0.91 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.82 -1.175 . . . . 5.66 109.886 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -106.15 21.78 16.79 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.13 -0.982 . . . . 1.27 110.159 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 101' ' ' VAL . 7.3 m -91.43 120.09 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.046 -1.034 . . . . 1.14 110.218 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 7.8 m-85 -119.08 150.41 40.03 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 109.134 -0.691 . . . . 1.23 109.134 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -158.75 169.15 25.02 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 120.889 -1.132 . . . . 2.9 109.694 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 31.3 m-85 -130.87 163.75 26.73 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.793 -0.567 . . . . 1.16 109.791 -178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 117.945 -1.026 . . . . 1.98 109.396 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.473 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.226 1 O4'-C1'-N19 111.094 4.117 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.473 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 110.592 3.49 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.953 1 O4'-C1'-N19 111.102 4.127 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 1 O4'-C1'-N19 111.526 4.658 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.546 4.683 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.471 H2'' " O4'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.99 0 C3'-C2'-C1' 106.917 3.012 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.471 " O4'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.716 1 O4'-C1'-N19 111.927 5.159 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.533 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.597 1 O4'-C1'-N19 111.178 4.223 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.533 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 112.001 5.251 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.186 1 O4'-C1'-N19 111.461 4.576 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.606 3.507 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 112.315 5.644 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.267 4.334 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 1 O4'-C1'-N19 111.659 4.824 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.507 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.604 0 C3'-C2'-C1' 106.997 3.069 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.507 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 111.125 4.156 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 1 O4'-C1'-N19 111.448 4.561 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 1 O4'-C1'-N19 111.347 4.434 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.476 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.842 0 C3'-C2'-C1' 107.033 3.095 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.476 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.108 0 O4'-C1'-N19 110.707 3.634 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 1 O4'-C1'-N19 111.534 4.667 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.22 4.275 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.438 ' OP2' ' OD2' ' A' ' 88' ' ' ASP . . . . . . . . 0 C5'--C4' 1.536 3.17 1 O4'-C1'-N19 111.194 4.243 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.542 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.522 0 C3'-C2'-C1' 107.036 3.097 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.542 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.726 4.908 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.091 1 O4'-C1'-N19 111.322 4.402 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.034 4.043 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.097 4.122 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 112.707 6.134 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.431 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.303 1 O4'-C1'-N19 111.337 4.421 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.431 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.211 1 O4'-C1'-N19 111.407 4.509 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.42 3.275 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.51 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.263 0 O4'-C1'-N19 110.787 3.734 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.51 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.543 4.019 0 O4'-C1'-N19 110.841 3.801 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' CG1' ' HZ1' ' A' ' 38' ' ' LYS . 28.0 m . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.466 0.65 . . . . 3.34 109.264 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -137.29 58.6 17.98 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 121.628 -0.67 . . . . 3.52 109.567 179.322 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 9.9 Cg_endo -69.0 -10.03 28.03 Favored 'Trans proline' 0 C--O 1.211 -0.841 0 N-CA-C 107.677 -1.701 . . . . 3.56 107.677 177.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' ALA . . . -58.91 -45.4 90.41 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.534 -0.729 . . . . 2.93 109.817 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.09 70.69 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.07 -1.019 . . . . 3.29 108.434 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.53 -44.16 12.16 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 2.93 109.897 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 16' ' ' LEU . 9.5 mp -83.9 -49.98 8.49 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.849 -1.157 . . . . 3.23 110.484 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . -83.81 -96.11 0.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.063 -1.023 . . . . 3.32 109.603 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.47 28.64 15.3 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 108.249 -1.941 . . . . 3.34 108.249 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.597 ' OH ' ' N ' ' A' ' 26' ' ' GLN . 24.0 p90 -69.94 130.71 42.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.916 -0.755 . . . . 3.66 110.449 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -126.17 0.5 7.13 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.313 -0.867 . . . . 4.79 108.995 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.25 86.1 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.989 -1.244 . . . . 5.2 109.989 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -122.54 35.76 4.8 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.332 -1.099 . . . . 4.83 109.412 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.87 -178.96 49.94 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.001 -1.24 . . . . 3.71 110.001 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -57.86 -177.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 121.971 1.78 . . . . 3.25 109.986 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.7 mm -68.98 127.17 30.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 O-C-N 121.049 -1.032 . . . . 2.8 109.263 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.597 ' N ' ' OH ' ' A' ' 19' ' ' TYR . 5.9 tm0? -89.75 159.37 17.09 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.773 -0.825 . . . . 1.66 108.773 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 27' ' ' LEU . 5.0 tt -65.91 -67.24 0.46 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.2 -0.937 . . . . 1.54 111.773 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.6 p-90 -71.04 -38.86 72.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.11 -0.993 . . . . 1.16 112.085 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.565 ' NE2' ' CE1' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -52.02 -50.08 62.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.409 -1.432 . . . . 2.34 108.12 -179.036 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -64.04 -51.64 63.18 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.638 -0.664 . . . . 0.86 110.507 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.64 -40.15 90.89 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.191 -0.943 . . . . 1.52 108.611 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -67.87 -41.12 83.32 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.994 -0.743 . . . . 1.91 108.994 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -62.31 -39.68 93.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.064 -1.023 . . . . 2.46 109.342 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 44.1 tp -58.04 -34.11 69.73 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.847 0.832 . . . . 1.54 109.32 -179.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' CA ' ' HE1' ' A' ' 46' ' ' TRP . 5.9 mp -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.483 -0.761 . . . . 1.45 111.615 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.4 p -95.63 -3.16 46.76 Favored 'General case' 0 N--CA 1.511 2.58 0 O-C-N 120.648 -1.283 . . . . 1.68 113.097 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.624 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 43.3 p30 -101.69 -96.33 0.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.767 -1.208 . . . . 3.08 109.246 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.624 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 4.3 tmmm? -55.24 148.31 14.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.57 -1.331 . . . . 3.33 108.677 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.8 t -66.25 -43.23 87.13 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.923 -1.11 . . . . 2.66 110.691 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 71.24 -4.66 1.75 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.673 -0.642 . . . . 2.22 110.059 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -56.24 -39.24 72.25 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.903 -1.123 . . . . 3.09 109.713 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.9 t -83.28 -14.61 52.73 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.601 -0.687 . . . . 2.41 109.872 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -109.64 -10.22 14.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 1.56 109.858 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 tt -165.92 -170.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.997 -1.112 . . . . 1.14 107.997 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.478 ' N ' HG23 ' A' ' 44' ' ' ILE . 75.2 m -114.39 81.03 1.48 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.16 -0.962 . . . . 1.71 110.642 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.514 ' HE1' ' CA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.25 94.76 9.34 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.58 -1.267 . . . . 1.46 107.58 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -64.65 142.8 58.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.416 -1.427 . . . . 2.04 109.583 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.4 52.72 2.1 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 109.124 -1.59 . . . . 1.95 109.124 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 56.0 p30 -110.46 -121.64 0.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.665 -0.903 . . . . 3.56 108.916 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 49' ' ' ASP . . . -80.92 -95.67 0.41 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.155 -1.978 . . . . 1.32 108.155 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -145.92 78.82 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.95 -1.324 . . . . 1.06 109.62 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -129.61 130.0 45.07 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.813 -1.18 . . . . 2.5 107.813 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.538 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 44.0 t80 -119.36 128.48 54.12 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.755 -0.591 . . . . 0.82 109.678 -178.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -122.8 136.12 54.76 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.544 -0.723 . . . . 2.34 109.473 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -92.41 99.78 12.47 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.112 -0.993 . . . . 1.3 109.86 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.0 t -79.91 -59.15 2.84 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.957 -1.089 . . . . 1.6 109.534 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -148.8 79.85 8.4 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.52 -0.737 . . . . 2.54 110.4 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -74.38 49.4 2.04 Favored 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.282 1.321 . . . . 1.09 109.341 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.67 -40.35 76.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.524 -1.36 . . . . 2.89 110.164 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.12 -28.95 38.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.826 -1.171 . . . . 3.15 108.967 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.24 -38.18 80.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.816 -1.177 . . . . 0.8 108.286 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.33 85.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.727 -0.608 . . . . 0.84 110.177 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 64' ' ' ARG . 6.0 ppt_? -71.47 -35.56 70.89 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.682 -1.261 . . . . 3.69 109.736 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' C ' ' NE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -69.87 -42.84 72.96 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.234 -0.916 . . . . 3.46 108.87 179.603 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -58.41 -40.65 83.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.269 -0.895 . . . . 1.08 109.474 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.34 -22.49 60.47 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.95 -1.119 . . . . 1.09 110.328 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.47 -40.3 89.29 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -1.115 . . . . 2.71 109.643 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -27.07 65.66 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.077 -1.014 . . . . 3.88 109.967 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -96.95 12.41 32.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.371 -0.831 . . . . 2.56 109.349 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 56.35 58.49 4.22 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.409 0.623 . . . . 3.49 111.026 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.678 ' HZ3' ' CE ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -134.45 159.12 73.48 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 107.427 -1.323 . . . . 2.35 107.427 178.752 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.28 -87.32 0.0 OUTLIER 'Trans proline' 0 C--O 1.214 -0.714 0 C-N-CA 121.364 1.376 . . . . 2.96 109.893 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.87 159.5 41.68 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.207 -0.933 . . . . 5.24 109.814 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.678 ' CE ' ' HZ3' ' A' ' 71' ' ' LYS . 61.2 mtt -130.27 132.53 45.96 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.48 -0.763 . . . . 2.41 110.195 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.656 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -69.9 160.24 32.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.639 -1.245 . . . . 1.48 107.639 178.285 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.457 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 62.6 t80 -65.99 -28.24 68.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.883 -1.136 . . . . 1.07 110.797 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.656 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.4 mt-10 -59.97 -30.59 69.2 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.65 -1.282 . . . . 2.53 108.96 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -56.8 -38.51 72.66 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 118.808 -1.157 . . . . 4.23 108.857 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.44 -43.18 86.32 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.138 -1.06 . . . . 1.17 108.138 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.1 p -60.78 -36.36 78.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.041 -1.037 . . . . 1.39 108.733 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 81' ' ' ARG . 23.7 mtt-85 -60.35 -43.93 96.02 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.138 -0.976 . . . . 4.74 109.303 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.51 -45.69 9.48 Favored Glycine 0 N--CA 1.481 1.64 0 N-CA-C 109.871 -1.292 . . . . 0.8 109.871 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.74 -33.61 74.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -1.122 . . . . 1.57 112.632 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.682 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -59.77 -39.27 84.3 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.109 -1.619 . . . . 2.34 109.574 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.682 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 77.2 t80 -86.59 -16.97 35.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.624 -0.673 . . . . 1.39 110.272 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CE1' HD13 ' A' ' 27' ' ' LEU . 16.2 t80 -69.03 2.2 2.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.058 -1.026 . . . . 1.27 111.078 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -76.62 61.27 1.78 Allowed 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.254 -1.387 . . . . 1.65 107.254 177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.438 ' OD2' ' OP2' ' C' ' 23' ' ' ' DC' . 97.6 m-20 -79.69 -53.95 6.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.103 -0.998 . . . . 2.74 110.669 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' NZ ' ' CB ' ' A' ' 89' ' ' LYS . 8.9 mtpm? -113.31 -98.58 0.43 Allowed 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.987 0.899 . . . . 2.52 109.192 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -162.0 84.39 0.59 Allowed 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.874 -1.158 . . . . 2.8 107.874 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -128.61 -51.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.796 -0.565 . . . . 1.28 109.702 -178.519 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.611 HD12 ' CE2' ' A' ' 104' ' ' PHE . 6.4 tt -134.28 128.26 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.749 -1.219 . . . . 1.09 109.428 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -128.79 138.96 52.37 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.277 -0.638 . . . . 1.79 109.277 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -76.82 152.56 35.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 2.83 109.961 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 97' ' ' GLY . 81.4 m -88.32 137.84 31.97 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.661 -0.866 . . . . 1.24 108.661 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.99 19.2 0.43 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.357 -0.84 . . . . 2.47 110.447 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 95' ' ' THR . . . -81.46 -87.12 0.66 Allowed Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.325 -1.51 . . . . 2.32 109.325 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.522 ' H ' HG21 ' A' ' 101' ' ' VAL . 56.5 mttp -104.42 -178.13 3.57 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.473 -1.016 . . . . 3.6 109.054 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -87.37 -12.69 45.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.987 -1.07 . . . . 5.66 110.955 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.22 5.66 30.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.117 -0.989 . . . . 1.27 110.77 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.522 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.3 m -91.06 123.77 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.625 -1.297 . . . . 1.14 111.372 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.457 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 25.7 m-85 -121.72 152.26 39.61 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.639 -0.874 . . . . 1.23 108.639 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -151.43 156.05 39.85 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.253 -1.017 . . . . 2.9 108.253 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.3 m-85 -118.01 144.49 45.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.465 -0.772 . . . . 1.16 109.169 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 118.113 -0.946 . . . . 1.98 109.491 -178.515 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 1 O4'-C1'-N19 112.118 5.398 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C1'-N19 110.946 3.932 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.851 3.813 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.631 4.789 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.48 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.909 0 O4'-C1'-N19 110.832 3.79 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.623 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.968 3.96 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.623 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.107 1 O4'-C1'-N19 111.739 4.923 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.432 ' OP2' ' NH1' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.21 1 O4'-C1'-N19 111.724 4.905 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.947 5.183 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C1'-N19 110.961 3.951 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.461 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.596 4.745 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.461 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.288 1 O4'-C1'-N19 111.665 4.831 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.847 1 O4'-C1'-N19 111.33 4.412 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.55 4.687 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 0 C3'-C2'-C1' 106.944 3.031 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 1 O4'-C1'-N19 111.489 4.611 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.105 1 O4'-C1'-N19 111.151 4.189 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.868 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.46 0 O4'-C1'-N19 110.971 3.964 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.487 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.357 3.196 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.393 1 O4'-C1'-N19 111.199 4.249 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.477 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.385 4.481 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.477 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.359 4.448 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 1 O4'-C1'-N19 111.384 4.48 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.534 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.561 0 O4'-C1'-N19 110.37 3.213 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.534 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.222 1 O4'-C1'-N19 112.011 5.263 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.49 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.778 4.973 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.49 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.847 0 O4'-C1'-N19 110.669 3.586 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.429 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.98 0 O4'-C1'-N19 110.841 3.802 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.742 1 O4'-C1'-N19 111.82 5.025 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.498 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O4'-C1'-N19 110.614 3.517 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.498 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.319 4.399 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.831 0 O4'-C1'-N19 110.518 3.397 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.678 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.204 1 O4'-C1'-N19 111.899 5.124 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.678 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.662 0 O4'-C1'-N19 110.863 3.829 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 10' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.303 -0.629 . . . . 3.34 109.303 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 11' ' ' ILE . 10.7 tp -139.62 64.13 28.94 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.154 -0.966 . . . . 3.52 109.469 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 10.0 Cg_endo -68.81 0.73 4.56 Favored 'Trans proline' 0 C--N 1.32 -0.922 0 C-N-CA 121.406 1.404 . . . . 3.56 108.85 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.592 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -60.19 -77.84 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.709 -0.619 . . . . 2.93 109.859 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.77 -10.13 3.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.044 -1.035 . . . . 3.29 109.755 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 12' ' ' PRO . . . -85.49 -67.21 0.82 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.036 -1.04 . . . . 2.93 110.068 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -86.35 -26.76 24.67 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.216 -0.927 . . . . 3.23 110.417 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -79.71 -51.44 9.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.628 -1.295 . . . . 3.32 109.96 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.64 42.85 45.48 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 108.334 -1.906 . . . . 3.34 108.334 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.65 145.83 46.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.625 -0.926 . . . . 3.66 109.771 -178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 22' ' ' SER . 44.4 m -93.18 143.55 26.15 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.321 -0.862 . . . . 4.79 109.332 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.87 -4.1 2.03 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.066 -1.213 . . . . 5.2 110.066 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 20' ' ' THR . 58.4 m -101.38 134.02 45.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.322 -1.105 . . . . 4.83 108.428 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.08 73.24 1.19 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 107.988 -2.045 . . . . 3.71 107.988 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -57.93 138.13 84.46 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.306 1.338 . . . . 3.25 110.558 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 tt -76.85 165.59 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.737 -0.838 . . . . 2.8 108.737 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.605 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 9.3 tm0? -83.59 155.14 23.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 1.66 108.46 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.5 tt -55.52 -56.23 22.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.142 -0.974 . . . . 1.54 112.565 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.596 ' N ' HD23 ' A' ' 27' ' ' LEU . 53.2 p-90 -76.07 -30.25 58.28 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.359 -1.463 . . . . 1.16 111.115 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.64 -39.29 80.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.463 -1.398 . . . . 2.34 107.411 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -67.88 -49.86 59.66 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.416 0.626 . . . . 0.86 109.377 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.458 -0.776 . . . . 1.52 108.99 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -63.45 -47.92 79.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.52 -0.737 . . . . 1.91 110.197 -179.129 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -58.46 -43.25 88.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.708 -1.245 . . . . 2.46 109.933 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.76 -27.65 66.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.082 . . . . 1.54 108.759 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -59.54 -48.48 81.49 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 109.135 -0.691 . . . . 1.45 109.135 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -104.8 62.12 0.7 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.084 -1.01 . . . . 1.68 109.922 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -136.15 -120.61 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.453 -0.78 . . . . 3.08 109.243 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 39' ' ' SER . 6.2 ttpm? -55.48 163.61 1.22 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.174 -0.954 . . . . 3.33 108.92 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.484 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 16.8 t -60.45 -38.57 84.59 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.027 -1.101 . . . . 2.66 108.027 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 35.5 m 58.69 16.6 4.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.763 -0.829 . . . . 2.22 108.763 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 44' ' ' ILE . 1.4 tm0? -67.13 -41.19 86.54 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.594 -0.691 . . . . 3.09 110.67 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -73.81 -30.04 62.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.127 -0.983 . . . . 2.41 110.465 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -107.69 6.69 27.96 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.072 -1.017 . . . . 1.56 109.12 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.545 HG23 ' N ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -169.15 -175.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.534 -1.284 . . . . 1.14 107.534 -178.328 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.545 ' N ' HG23 ' A' ' 44' ' ' ILE . 43.0 t -129.95 104.91 7.64 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.195 -0.941 . . . . 1.71 109.276 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.443 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -94.24 127.71 40.26 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.704 -1.221 . . . . 1.46 107.704 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 49' ' ' ASP . 3.6 m -61.13 135.54 57.79 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.101 -0.999 . . . . 2.04 110.913 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.23 6.37 82.53 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.579 -1.408 . . . . 1.95 109.579 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' H ' HG22 ' A' ' 47' ' ' THR . 93.8 m-20 -126.44 -94.37 0.46 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.465 -1.021 . . . . 3.56 110.697 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.07 -117.5 0.7 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.48 -1.048 . . . . 1.32 110.48 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.408 ' N ' ' OE2' ' A' ' 52' ' ' GLU . 2.9 t90 -140.17 57.35 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.861 . . . . 1.06 109.102 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 47' ' ' THR . 2.1 mp0 -97.0 77.67 2.76 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 105.945 -1.872 . . . . 2.5 105.945 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -83.98 130.88 34.87 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.347 0.594 . . . . 0.82 110.198 -176.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -141.13 146.92 37.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.37 -0.974 . . . . 2.34 108.37 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 55' ' ' LEU . 9.5 mp -91.95 99.21 12.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.099 -1.001 . . . . 1.3 110.019 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.5 p -74.5 -49.37 22.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 1.6 110.86 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -139.75 76.98 28.28 Favored Pre-proline 0 N--CA 1.509 2.488 0 O-C-N 120.882 -1.136 . . . . 2.54 111.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -77.54 54.52 4.78 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.745 1.63 . . . . 1.09 109.738 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -71.58 -40.91 69.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.91 -1.119 . . . . 2.89 110.582 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -90.03 -32.96 16.52 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.834 -1.166 . . . . 3.15 109.661 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.02 -44.31 92.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.375 -0.972 . . . . 0.8 108.375 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.27 95.09 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.699 -0.852 . . . . 0.84 108.699 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -60.39 -43.61 96.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.006 -1.059 . . . . 3.69 109.098 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.42 ' NH2' ' CD ' ' A' ' 67' ' ' LYS . 3.1 mmp_? -68.88 -40.54 79.17 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.864 . . . . 3.46 110.576 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.403 ' CD1' ' NZ ' ' A' ' 69' ' ' LYS . 22.9 t-105 -66.06 -42.67 89.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.93 . . . . 1.08 109.616 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.78 -30.5 55.96 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.027 -1.229 . . . . 1.09 110.027 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' CD ' ' NH2' ' A' ' 64' ' ' ARG . 82.2 tttt -66.03 -40.14 90.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.127 -1.219 . . . . 2.71 110.361 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' A' ' 68' ' ' ARG . 0.3 OUTLIER -59.39 -10.48 3.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.857 -1.152 . . . . 3.88 109.135 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 58.9 mttp -93.12 9.07 37.49 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.117 -0.989 . . . . 2.56 110.416 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.1 m120 52.09 41.65 30.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.79 -1.194 . . . . 3.49 108.79 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 72' ' ' PRO . 4.6 mtpp -148.9 159.82 36.77 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.263 -0.898 . . . . 2.35 109.045 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 71' ' ' LYS . 5.6 Cg_exo -49.87 -175.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 121.192 1.261 . . . . 2.96 110.925 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -91.29 128.74 37.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.563 -0.71 . . . . 5.24 109.924 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 56.3 tpp -108.92 158.03 18.07 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 108.62 -0.882 . . . . 2.41 108.62 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -63.07 167.09 5.18 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 122.048 0.928 . . . . 1.48 111.95 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.474 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 63.3 t80 -63.99 -20.64 66.04 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.537 -0.542 . . . . 1.07 109.537 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.13 -27.54 46.04 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.088 -1.008 . . . . 2.53 108.59 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 40.3 pttt -59.36 -41.38 89.14 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.781 -0.822 . . . . 4.23 108.781 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.8 mt -68.58 -44.95 73.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.308 -0.87 . . . . 1.17 110.279 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 m -60.73 -44.17 96.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.857 -1.152 . . . . 1.39 110.088 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.558 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -63.65 -40.2 96.26 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.557 -0.714 . . . . 4.74 110.496 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.47 -44.65 6.1 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 119.694 -1.241 . . . . 0.8 110.645 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.687 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -60.14 -40.96 91.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -1.094 . . . . 1.57 109.676 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.729 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -61.09 -35.93 78.3 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.537 -1.352 . . . . 2.34 109.314 179.626 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.729 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 70.5 t80 -76.5 -9.09 58.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.222 -0.924 . . . . 1.39 109.702 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.4 t80 -73.89 11.94 0.78 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 1.27 110.856 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.508 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.4 m-85 -76.13 11.2 1.57 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.898 -1.126 . . . . 1.65 109.634 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -74.41 -33.98 63.15 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.702 -1.222 . . . . 2.74 107.702 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -108.58 137.05 47.17 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.399 -1.334 . . . . 2.52 107.399 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -76.72 90.02 3.41 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.013 -1.106 . . . . 2.8 108.013 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.98 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.2 tp -138.3 -84.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-N 116.157 -0.474 . . . . 1.28 110.434 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.98 ' H ' HG23 ' A' ' 91' ' ' ILE . 10.5 tt -98.44 132.63 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.837 -1.165 . . . . 1.09 110.781 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.508 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 12.7 m-70 -128.77 115.21 17.61 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.023 -1.103 . . . . 1.79 108.023 178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.507 ' H ' ' CD ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -80.68 174.87 11.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.006 -1.059 . . . . 2.83 110.018 -178.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.7 m -87.69 141.34 28.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.022 -1.049 . . . . 1.24 108.213 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.8 17.28 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 2.47 110.184 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.86 -123.54 0.69 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 109.309 -1.516 . . . . 2.32 109.309 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -142.36 -41.7 0.33 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.68 -0.894 . . . . 3.6 110.035 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.22 163.91 1.47 Allowed 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.773 0.796 . . . . 5.66 110.752 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.439 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 35.8 m-85 -73.94 48.35 0.29 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.627 -0.671 . . . . 1.27 109.835 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.84 122.58 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.133 -0.979 . . . . 1.14 109.558 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.474 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 66.5 m-85 -119.29 153.98 34.21 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -149.75 158.07 43.82 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.631 -0.877 . . . . 2.9 108.631 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.622 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 28.8 m-85 -130.47 159.71 36.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 1.16 109.595 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.027 -0.987 . . . . 1.98 109.146 -179.384 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.716 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.348 1 O4'-C1'-N19 111.316 4.395 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.155 0 O4'-C1'-N19 110.636 3.545 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.698 1 O4'-C1'-N19 111.134 4.167 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 0 O4'-C1'-N19 110.995 3.994 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.983 5.228 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.659 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.357 0 O4'-C1'-N19 110.285 3.106 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.659 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.507 1 O4'-C1'-N19 111.654 4.818 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.513 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 111.361 4.451 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.027 4.034 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.182 4.227 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.441 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.876 1 O4'-C1'-N19 111.197 4.247 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.441 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.896 1 O4'-C1'-N19 111.972 5.215 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 1 O4'-C1'-N19 111.336 4.42 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.502 4.627 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.468 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.619 0 C3'-C2'-C1' 106.86 2.971 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.468 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.332 0 O4'-C1'-N19 110.724 3.655 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.988 1 O4'-C1'-N19 111.116 4.144 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.877 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.739 1 O4'-C1'-N19 111.226 4.282 . . . . 2.42 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.407 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.55 3.437 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 1 O4'-C1'-N19 111.266 4.333 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 1 O4'-C1'-N19 111.713 4.891 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.11 4.137 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.095 1 O4'-C1'-N19 111.785 4.982 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.548 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.543 4.04 0 O4'-C1'-N19 110.554 3.443 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.548 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.115 1 O4'-C1'-N19 111.875 5.093 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.503 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.144 0 O4'-C1'-N19 110.652 3.565 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.503 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.391 4.489 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.475 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.391 1 O4'-C1'-N19 111.298 4.372 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.516 ' N2 ' ' C2 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.928 5.16 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.516 ' C2 ' ' N2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O4'-C1'-N19 110.823 3.779 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 1 O4'-C1'-N19 111.503 4.628 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.418 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.55 3.437 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.543 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.809 3.762 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.543 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.168 0 O4'-C1'-N19 110.738 3.672 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.524 ' O ' HG23 ' A' ' 10' ' ' VAL . 27.4 m . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.382 0.61 . . . . 3.34 109.815 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.561 ' C ' ' H ' ' A' ' 13' ' ' ALA . 3.1 pt -133.2 64.06 68.5 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.274 -0.891 . . . . 3.52 110.558 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.696 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.0 Cg_exo -53.57 -4.06 0.2 Allowed 'Trans proline' 0 C--O 1.203 -1.255 0 N-CA-C 109.136 -1.14 . . . . 3.56 109.136 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -49.28 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.711 -1.243 . . . . 2.93 109.845 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.05 -17.39 64.88 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.0 -1.062 . . . . 3.29 109.458 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.696 ' HB3' ' HA ' ' A' ' 12' ' ' PRO . . . -83.76 -37.07 23.1 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.347 -0.845 . . . . 2.93 110.559 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' A' ' 12' ' ' PRO . 34.8 tp -80.2 -42.04 24.06 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.152 -0.968 . . . . 3.23 109.721 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.46 -35.08 40.86 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.408 -0.807 . . . . 3.32 109.696 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.22 53.86 10.81 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.015 -1.634 . . . . 3.34 109.015 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.11 128.14 34.93 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.508 -0.995 . . . . 3.66 108.799 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 22' ' ' SER . 0.6 OUTLIER -95.17 -176.26 3.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.338 -0.851 . . . . 4.79 109.118 -179.421 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 20' ' ' THR . . . -68.19 63.6 0.38 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.686 -1.766 . . . . 5.2 108.686 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 20' ' ' THR . 68.2 m -106.62 29.74 6.66 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.517 -0.99 . . . . 4.83 109.66 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.5 175.95 43.15 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 110.033 -1.227 . . . . 3.71 110.033 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -59.01 139.17 89.66 Favored 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.59 1.526 . . . . 3.25 110.429 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 tt -78.93 156.17 4.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 108.875 -0.787 . . . . 2.8 108.875 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 1.3 tm0? -80.16 143.5 33.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.059 -1.026 . . . . 1.66 109.274 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.553 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.9 tt -59.88 -49.91 75.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 1.54 112.245 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 62.7 p-90 -82.87 -33.34 27.02 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.132 -1.605 . . . . 1.16 111.586 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -58.43 -37.84 76.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.151 -1.593 . . . . 2.34 107.824 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 68' ' ' ARG . 15.1 t80 -70.32 -56.02 7.75 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.616 -0.678 . . . . 0.86 109.667 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 31' ' ' LEU . 3.7 tt -58.59 -46.34 87.18 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.953 -1.092 . . . . 1.52 108.711 -178.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -59.83 -44.01 94.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.904 -1.123 . . . . 1.91 108.516 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -62.37 -41.18 98.42 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.681 -1.229 . . . . 2.46 107.681 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -62.77 -45.77 91.14 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.096 -1.446 . . . . 1.54 107.096 178.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 53' ' ' PHE . 12.0 tp -49.94 -41.71 46.93 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.236 -0.653 . . . . 1.45 109.236 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -97.35 60.46 1.63 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.311 -0.868 . . . . 1.68 110.022 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -119.08 -139.66 0.35 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.52 -0.737 . . . . 3.08 109.624 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.641 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 7.8 ttpt -56.82 -177.97 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.362 -0.836 . . . . 3.33 108.753 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.533 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 22.5 m -67.91 -34.2 76.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.042 -1.036 . . . . 2.66 108.873 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.641 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 64.2 m 56.11 17.36 2.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.562 -0.711 . . . . 2.22 109.814 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.11 -44.9 94.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.815 -1.178 . . . . 3.09 110.927 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -4.17 52.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.971 -1.081 . . . . 2.41 110.239 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 9.8 m-85 -118.28 -17.6 9.47 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.268 -0.895 . . . . 1.56 109.342 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 45' ' ' SER . 2.4 tt -163.79 -167.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 108.061 -1.089 . . . . 1.14 108.061 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.556 ' N ' HG23 ' A' ' 44' ' ' ILE . 18.0 m -128.1 122.05 31.11 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.891 -1.13 . . . . 1.71 110.444 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 108.06 15.52 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.541 -1.281 . . . . 1.46 107.541 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.1 p -70.06 159.43 33.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.847 -1.158 . . . . 2.04 109.891 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 52.99 0.67 Allowed Glycine 0 N--CA 1.497 2.703 0 N-CA-C 108.731 -1.748 . . . . 1.95 108.731 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -113.66 -149.69 0.45 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.64 -0.918 . . . . 3.56 109.121 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.69 -54.24 6.06 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.109 -1.596 . . . . 1.32 109.109 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -165.62 79.25 0.3 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.087 -1.243 . . . . 1.06 109.164 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.37 130.29 40.51 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.918 -0.771 . . . . 2.5 108.918 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.463 ' CG ' HD11 ' A' ' 35' ' ' LEU . 52.4 t80 -123.59 136.5 54.56 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.547 -0.72 . . . . 0.82 110.263 -178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -126.32 139.82 53.0 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.946 -0.761 . . . . 2.34 108.946 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -95.54 108.48 20.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.57 -0.706 . . . . 1.3 110.437 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -82.09 -65.76 0.97 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.936 -1.102 . . . . 1.6 109.286 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 59' ' ' ASP . 69.5 m-20 -147.26 72.35 12.0 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.103 -0.998 . . . . 2.54 110.757 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.93 64.44 0.22 Allowed 'Trans proline' 0 C--N 1.315 -1.198 0 C-N-CA 121.329 1.352 . . . . 1.09 110.449 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' ASP . 63.1 t0 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.729 -1.232 . . . . 2.89 110.474 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -80.51 -29.89 37.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 3.15 110.233 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.7 -44.12 79.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 0.8 110.508 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.23 82.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.026 -1.046 . . . . 0.84 109.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 9.3 mpt_? -67.01 -43.31 83.2 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.501 -0.749 . . . . 3.69 109.591 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -63.93 -40.09 95.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.914 -1.116 . . . . 3.46 109.555 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -60.57 -34.17 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.19 -0.944 . . . . 1.08 109.106 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.09 -29.87 59.92 Favored Glycine 0 N--CA 1.493 2.491 0 C-N-CA 120.463 -0.875 . . . . 1.09 111.064 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -66.34 -40.47 89.87 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.854 -1.38 . . . . 2.71 111.401 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 30' ' ' PHE . 35.5 ttm180 -58.73 -25.63 63.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.992 -1.068 . . . . 3.88 109.773 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' NZ ' ' CB ' ' A' ' 69' ' ' LYS . 6.7 mtpm? -91.82 9.96 30.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.399 -0.813 . . . . 2.56 109.161 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 55.45 50.46 14.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 3.49 110.392 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 72' ' ' PRO . 57.5 mttp -138.85 151.67 68.85 Favored Pre-proline 0 N--CA 1.496 1.831 0 N-CA-C 108.87 -0.789 . . . . 2.35 108.87 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.3 Cg_exo -55.23 -166.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.067 0 N-CA-C 108.465 -1.398 . . . . 2.96 108.465 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -85.33 142.57 29.23 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.734 -1.229 . . . . 5.24 110.053 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mtp -131.85 163.96 27.12 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.819 0.819 . . . . 2.41 110.181 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -68.22 156.52 37.45 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.927 0.87 . . . . 1.48 111.293 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -61.27 -12.31 12.94 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.422 0.63 . . . . 1.07 109.603 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -58.12 -37.64 74.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.347 -0.846 . . . . 2.53 110.355 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.83 -33.51 68.7 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.91 -1.118 . . . . 4.23 109.937 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.8 mt -67.93 -46.38 71.66 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.366 -0.934 . . . . 1.17 108.484 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -67.23 -43.32 82.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.849 -1.157 . . . . 1.39 108.897 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.5 ' O ' ' CZ ' ' A' ' 84' ' ' ARG . 35.8 ttp180 -68.0 -40.34 83.03 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.582 0.706 . . . . 4.74 109.381 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.85 -44.31 5.78 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 121.014 -1.054 . . . . 0.8 111.314 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 79' ' ' LEU . 7.2 tt -64.88 -36.26 83.77 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.791 -1.417 . . . . 1.57 109.989 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.559 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -56.48 -44.41 80.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.666 -1.271 . . . . 2.34 109.158 -178.774 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.42 ' H ' ' HG3' ' A' ' 84' ' ' ARG . 66.0 t80 -61.09 -13.12 14.93 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.82 -1.175 . . . . 1.39 108.52 178.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' A' ' 88' ' ' ASP . 4.2 t80 -76.54 6.78 5.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.542 -0.724 . . . . 1.27 111.608 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 34.6 m-85 -80.27 20.91 0.64 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.132 -1.605 . . . . 1.65 108.26 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 86' ' ' TYR . 95.7 m-20 -72.49 -37.64 68.37 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.806 -1.183 . . . . 2.74 107.806 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -108.76 136.38 48.42 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.138 -1.431 . . . . 2.52 107.138 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -77.81 86.82 4.05 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.623 -1.231 . . . . 2.8 108.049 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -127.4 -44.31 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 CA-C-N 115.311 -0.859 . . . . 1.28 109.334 -178.701 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.65 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.3 tt -137.97 129.75 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.924 -1.11 . . . . 1.09 109.186 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -120.3 147.89 44.42 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 1.79 109.199 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -73.66 143.28 46.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.465 -0.772 . . . . 2.83 110.08 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -96.43 128.24 43.17 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.747 . . . . 1.24 109.409 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.68 47.13 1.46 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.724 -1.235 . . . . 2.47 108.669 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.81 -73.91 1.28 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.556 -1.018 . . . . 2.32 110.556 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.428 ' H ' HG21 ' A' ' 101' ' ' VAL . 59.9 tttp -111.83 -71.11 0.77 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.307 -1.114 . . . . 3.6 110.285 -178.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -170.97 -57.39 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.234 -0.916 . . . . 5.66 108.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.61 27.11 3.15 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.176 -0.675 . . . . 1.27 109.176 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.428 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.5 m -87.19 124.47 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.395 -0.815 . . . . 1.14 110.837 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -115.64 151.88 34.18 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.53 -0.731 . . . . 1.23 109.581 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 103' ' ' ARG . 38.6 ttt-85 -148.89 149.88 32.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.135 -0.978 . . . . 2.9 109.219 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CE2' HD12 ' A' ' 92' ' ' ILE . 17.0 m-85 -118.61 150.92 38.88 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.616 0.722 . . . . 1.16 110.416 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 105' ' ' VAL . 10.6 p . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.84 -1.076 . . . . 1.98 109.176 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.879 3.849 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 111.232 4.29 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 1 O4'-C1'-N19 111.428 4.535 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.429 1 O4'-C1'-N19 111.396 4.494 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 111.627 4.784 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.401 ' OP1' ' CE2' ' A' ' 100' ' ' TYR . . . . . . . . 0 C5'--C4' 1.535 3.055 0 C3'-C2'-C1' 106.998 3.07 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.694 ' N4 ' ' HE ' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 112.109 5.386 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.602 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.77 1 O4'-C1'-N19 111.223 4.279 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 1 O4'-C1'-N19 111.091 4.114 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 1 O4'-C1'-N19 111.341 4.426 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.43 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.739 1 O4'-C1'-N19 111.191 4.239 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.43 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.759 4.948 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.431 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.513 1 O4'-C1'-N19 111.172 4.215 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.431 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.275 1 O4'-C1'-N19 111.779 4.974 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.408 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C1'-N19 110.531 3.414 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 111.795 4.994 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.477 1 O4'-C1'-N19 112.078 5.347 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.552 H2'' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.768 3.71 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.552 " O5'" H2'' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C1'-N19 110.459 3.323 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.415 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.682 4.852 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.457 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.867 3.833 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.457 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.285 0 O4'-C1'-N19 110.835 3.794 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.947 5.183 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.438 3.297 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 1 O4'-C1'-N19 111.076 4.095 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.382 1 O4'-C1'-N19 111.952 5.19 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.581 ' H41' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.152 4.19 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.508 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.837 1 O4'-C1'-N19 111.041 4.051 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.306 1 O4'-C1'-N19 112.187 5.483 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.484 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.7 0 O4'-C1'-N19 110.691 3.613 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.484 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.438 4.548 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.545 3.431 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.534 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.868 0 O4'-C1'-N19 110.985 3.981 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.534 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.23 0 O4'-C1'-N19 110.731 3.663 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.337 0.589 . . . . 3.34 109.532 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.3 tp -141.51 59.34 9.95 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.253 -0.904 . . . . 3.52 109.011 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 11.9 Cg_endo -69.8 -2.39 10.11 Favored 'Trans proline' 0 C--N 1.319 -0.994 0 N-CA-C 108.323 -1.453 . . . . 3.56 108.323 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.92 -64.93 0.84 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.527 -0.733 . . . . 2.93 109.349 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.84 -28.34 68.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.681 -0.637 . . . . 3.29 109.566 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.41 50.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.201 -0.937 . . . . 2.93 109.522 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.9 mt -81.39 -40.66 23.12 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.129 -0.982 . . . . 3.23 109.138 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.05 -49.03 12.35 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.915 -1.115 . . . . 3.32 109.067 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.48 -5.27 80.4 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.373 -1.091 . . . . 3.34 110.373 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.525 ' OH ' ' NH1' ' A' ' 68' ' ' ARG . 1.6 p90 -74.88 123.54 25.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.853 -1.38 . . . . 3.66 108.467 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 21' ' ' GLY . 2.8 m -101.4 -139.55 0.34 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.3 -0.875 . . . . 4.79 109.422 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 20' ' ' THR . . . -72.85 -8.93 74.37 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.829 -1.309 . . . . 5.2 109.829 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 t -103.02 129.04 49.65 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.375 -1.073 . . . . 4.83 108.343 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.08 68.01 1.42 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.065 -1.614 . . . . 3.71 109.065 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -52.85 132.46 46.93 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.265 1.31 . . . . 3.25 111.287 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 14.7 tt -77.49 168.56 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 109.082 -0.71 . . . . 2.8 109.082 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.567 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.2 tm0? -86.87 152.52 22.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.214 -0.929 . . . . 1.66 108.919 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 27' ' ' LEU . 9.4 tt -56.07 -56.28 22.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 1.54 112.163 -178.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.545 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.6 p-90 -76.54 -31.7 57.77 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.132 -1.605 . . . . 1.16 110.645 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.38 -42.8 92.51 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 118.244 -1.383 . . . . 2.34 107.28 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -62.85 -54.08 44.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.449 -0.782 . . . . 0.86 109.216 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.37 -41.81 97.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 1.52 109.891 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.63 -46.52 87.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.959 . . . . 1.91 109.95 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.92 -43.87 97.97 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.787 -1.195 . . . . 2.46 108.815 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -65.27 -28.13 69.13 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.108 -0.701 . . . . 1.54 109.108 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 53' ' ' PHE . 5.2 tp -56.08 -40.3 73.41 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.49 -0.756 . . . . 1.45 109.58 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -121.94 55.69 1.11 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.472 -0.768 . . . . 1.68 109.507 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -125.73 -104.44 0.35 Allowed 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.507 -0.746 . . . . 3.08 109.193 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -53.42 161.67 0.93 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.299 -0.876 . . . . 3.33 109.146 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -67.55 115.54 7.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.328 -1.36 . . . . 2.66 107.328 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.488 ' O ' ' O ' ' A' ' 44' ' ' ILE . 76.2 m -90.61 27.85 1.64 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.556 -0.715 . . . . 2.22 109.669 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -97.27 -39.03 9.44 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.223 -0.923 . . . . 3.09 111.393 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -79.21 -29.63 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.96 -1.088 . . . . 2.41 112.212 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CE2' ' CD ' ' A' ' 60' ' ' GLU . 96.8 m-85 -110.64 1.78 18.21 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.921 -1.112 . . . . 1.56 110.893 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.53 ' CG1' ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -171.8 173.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 118.461 -1.296 . . . . 1.14 109.542 -177.376 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 41.5 t -114.23 102.69 10.37 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.211 -0.93 . . . . 1.71 109.111 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.446 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.35 87.84 2.72 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.046 -1.464 . . . . 1.46 107.046 179.502 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -58.86 141.71 52.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.993 -1.067 . . . . 2.04 109.645 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.76 47.27 1.19 Allowed Glycine 0 N--CA 1.499 2.869 0 N-CA-C 109.858 -1.297 . . . . 1.95 109.858 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -112.59 -97.52 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.383 -1.069 . . . . 3.56 109.527 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.35 -102.0 0.6 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 108.809 -1.716 . . . . 1.32 108.809 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -156.62 82.21 0.96 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.229 -1.159 . . . . 1.06 109.408 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' OE2' ' CZ ' ' A' ' 103' ' ' ARG . 81.0 mm-40 -132.92 128.91 37.56 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.543 -1.28 . . . . 2.5 107.543 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.449 ' CD1' HD11 ' A' ' 35' ' ' LEU . 22.9 t80 -119.37 123.69 44.76 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.436 -0.79 . . . . 0.82 109.51 -179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -129.57 118.02 21.35 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.269 -0.894 . . . . 2.34 109.752 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 55' ' ' LEU . 5.1 mp -85.05 98.69 10.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.68 -0.637 . . . . 1.3 109.396 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.9 p -76.09 -39.28 55.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.09 -1.006 . . . . 1.6 110.066 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 59' ' ' ASP . 86.2 m-20 -134.74 71.44 70.37 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.317 -0.865 . . . . 2.54 109.883 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -72.18 33.05 0.28 Allowed 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.266 1.311 . . . . 1.09 110.114 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 57' ' ' ASP . 97.3 m-20 -69.89 -40.89 75.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.614 -1.304 . . . . 2.89 110.814 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 81.7 mt-10 -79.35 -41.72 27.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.968 -1.082 . . . . 3.15 109.099 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.7 -40.73 88.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 108.625 -0.88 . . . . 0.8 108.625 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.31 88.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.935 -1.103 . . . . 0.84 108.095 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.66 -44.11 87.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.535 -0.728 . . . . 3.69 109.289 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -59.38 -44.25 92.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 3.46 110.015 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -64.55 -37.19 86.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.554 -0.716 . . . . 1.08 110.173 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.48 -48.18 45.89 Favored Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.234 -0.984 . . . . 1.09 111.59 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -67.22 -14.76 63.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.773 -1.428 . . . . 2.71 111.219 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.525 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -59.24 -36.09 74.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.704 -1.248 . . . . 3.88 109.963 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -104.29 18.72 21.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.177 -0.952 . . . . 2.56 109.973 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 59.37 59.94 2.48 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.196 -0.94 . . . . 3.49 109.558 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.23 149.7 70.34 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 106.817 -1.549 . . . . 2.35 106.817 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -50.57 -86.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.088 0 N-CA-C 109.903 -0.845 . . . . 2.96 109.903 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.48 ' C ' ' SD ' ' A' ' 74' ' ' MET . 2.8 mptt -136.29 136.93 40.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.06 -1.025 . . . . 5.24 110.598 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.48 ' SD ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -115.76 115.81 26.95 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.881 -1.155 . . . . 2.41 107.881 178.048 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 28.0 p30 -71.86 178.83 3.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 1.48 110.893 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.01 -28.03 67.91 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.723 -0.611 . . . . 1.07 109.995 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 72.3 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 2.53 110.536 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -56.55 -36.31 69.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 4.23 109.334 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.6 mt -66.96 -41.54 86.7 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.734 -0.786 . . . . 1.17 109.576 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.0 p -64.91 -44.31 89.97 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.033 -1.067 . . . . 1.39 109.232 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.694 ' HE ' ' N4 ' ' B' ' 7' ' ' ' DC' . 97.6 mtt180 -70.17 -39.49 75.26 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.194 -0.941 . . . . 4.74 110.79 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -84.11 -51.33 4.0 Favored Glycine 0 N--CA 1.495 2.617 0 O-C-N 120.87 -1.144 . . . . 0.8 111.55 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.765 ' O ' HD23 ' A' ' 83' ' ' LEU . 6.6 tt -62.54 -28.61 69.98 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.094 -1.239 . . . . 1.57 110.205 -177.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.485 HH12 " C2'" ' B' ' 7' ' ' ' DC' . 2.2 tmm_? -60.03 -48.17 82.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.567 -1.333 . . . . 2.34 108.988 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.52 -8.66 2.93 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.331 -0.856 . . . . 1.39 109.632 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.47 ' C ' ' H ' ' A' ' 88' ' ' ASP . 3.9 t80 -74.78 4.91 5.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.132 -0.98 . . . . 1.27 111.056 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -68.51 7.83 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.983 -1.073 . . . . 1.65 109.251 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 86' ' ' TYR . 62.2 t0 -72.05 -37.81 69.61 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.753 -0.832 . . . . 2.74 108.753 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -105.4 137.27 43.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.619 -1.252 . . . . 2.52 107.619 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -77.02 93.01 3.77 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.724 -1.235 . . . . 2.8 107.96 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.953 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -140.12 -84.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.837 -0.539 . . . . 1.28 110.463 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.953 ' H ' HG23 ' A' ' 91' ' ' ILE . 12.8 tt -99.43 135.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.069 -1.019 . . . . 1.09 110.518 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -122.06 147.51 46.01 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.475 0.655 . . . . 1.79 109.499 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' HZ1' ' P ' ' B' ' 7' ' ' ' DC' . 50.5 mtpt -81.65 152.33 27.18 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.785 0.802 . . . . 2.83 109.944 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.62 HG22 ' H ' ' A' ' 97' ' ' GLY . 94.2 m -92.08 123.02 35.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.613 -0.679 . . . . 1.24 109.689 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.42 -8.98 59.5 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.338 -0.851 . . . . 2.47 109.149 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.62 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.16 -34.98 39.64 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.941 -1.264 . . . . 2.32 109.941 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -129.89 178.8 6.26 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.518 -0.99 . . . . 3.6 109.114 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.08 -29.48 9.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.572 -0.705 . . . . 5.66 111.132 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.401 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 71.2 m-85 -105.54 10.41 33.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.105 -0.997 . . . . 1.27 110.761 -178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.1 130.69 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.128 -0.983 . . . . 1.14 111.956 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -105.69 156.13 18.58 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.067 -1.086 . . . . 1.23 108.067 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.43 ' CZ ' ' OE2' ' A' ' 52' ' ' GLU . 58.6 ttt180 -145.15 150.99 37.74 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.166 -1.05 . . . . 2.9 108.166 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 21.5 m-85 -122.58 164.42 18.2 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.518 -0.739 . . . . 1.16 110.029 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.163 -0.922 . . . . 1.98 109.393 -179.144 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.817 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.282 1 O4'-C1'-N19 111.278 4.347 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.505 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.249 0 O4'-C1'-N19 110.836 3.796 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.646 3.558 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.94 3.926 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.537 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.72 1 O4'-C1'-N19 111.801 5.001 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.543 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.543 3.984 0 C3'-C2'-C1' 106.867 2.977 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 112.347 5.683 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.421 1 O4'-C1'-N19 111.202 4.253 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.566 1 O4'-C1'-N19 112.784 6.23 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.592 1 O4'-C1'-N19 112.515 5.893 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.491 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.837 3.796 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.491 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.024 1 O4'-C1'-N19 111.578 4.722 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.031 1 O4'-C1'-N19 111.334 4.417 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.751 4.938 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.519 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.71 0 C3'-C2'-C1' 106.899 2.999 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.226 4.283 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.204 4.255 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 0 O4'-C1'-N19 110.991 3.988 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.425 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.01 0 C3'-C2'-C1' 106.833 2.952 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.418 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.229 0 O4'-C1'-N19 110.842 3.802 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.42 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 112.308 5.635 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.42 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.324 1 O4'-C1'-N19 111.255 4.319 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.407 ' OP1' ' NE2' ' A' ' 26' ' ' GLN . . . . . . . . 0 C5'--C4' 1.542 3.877 1 O4'-C1'-N19 111.204 4.255 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.472 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.061 0 O4'-C1'-N19 110.502 3.377 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.557 ' N3 ' ' N4 ' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.799 1 O4'-C1'-N19 112.031 5.289 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.557 ' N4 ' ' N3 ' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.638 0 O4'-C1'-N19 110.558 3.447 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.506 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.893 3.866 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.295 4.369 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 112.156 5.445 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.419 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.167 4.209 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.419 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.491 1 O4'-C1'-N19 111.71 4.887 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C1'-N19 110.829 3.787 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.496 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.832 1 O4'-C1'-N19 111.322 4.402 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.489 1 O4'-C1'-N19 111.202 4.253 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.538 ' O ' HG12 ' A' ' 10' ' ' VAL . 33.1 t . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.198 0.523 . . . . 3.34 109.729 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.721 ' O ' HG23 ' A' ' 11' ' ' ILE . 5.8 tp -137.53 61.3 30.37 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.053 -1.029 . . . . 3.52 108.952 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.32 -17.57 53.84 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.31 1.34 . . . . 3.56 108.718 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.36 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.751 -0.593 . . . . 2.93 110.468 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -5.95 2.11 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.896 . . . . 3.29 111.169 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.62 -74.56 0.44 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.798 -1.189 . . . . 2.93 110.393 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pp -93.49 -28.04 16.32 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.436 -0.79 . . . . 3.23 111.48 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.86 -17.9 42.22 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.968 -1.083 . . . . 3.32 109.486 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.98 76.62 0.15 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 108.351 -1.9 . . . . 3.34 108.351 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' OH ' ' N ' ' A' ' 25' ' ' ILE . 6.6 t80 -74.15 64.63 1.08 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.679 -0.895 . . . . 3.66 109.653 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.8 p -128.21 3.24 5.78 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.403 -0.962 . . . . 4.79 108.403 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.47 -88.33 0.01 OUTLIER Glycine 0 N--CA 1.483 1.795 0 N-CA-C 109.463 -1.455 . . . . 5.2 109.463 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 23' ' ' GLY . 32.9 t -147.8 111.88 5.16 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.373 -1.075 . . . . 4.83 110.451 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 22' ' ' SER . . . 37.24 -158.6 0.01 OUTLIER Glycine 0 N--CA 1.503 3.162 0 N-CA-C 110.248 -1.141 . . . . 3.71 110.248 178.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -60.65 138.15 77.99 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 121.063 1.176 . . . . 3.25 109.58 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 26' ' ' GLN . 10.9 tt -80.78 -149.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.196 -0.94 . . . . 2.8 108.832 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.633 ' N ' HG23 ' A' ' 25' ' ' ILE . 11.6 tm0? -88.41 158.03 18.51 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.513 -1.367 . . . . 1.66 108.576 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.1 tt -60.03 -52.52 65.04 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.079 -1.013 . . . . 1.54 112.135 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.4 p-90 -77.0 -31.06 56.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.581 -1.324 . . . . 1.16 110.698 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' OE1' ' CZ3' ' A' ' 28' ' ' TRP . 15.0 mm100 -60.08 -41.9 93.43 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.24 -1.392 . . . . 2.34 107.24 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -65.66 -55.68 16.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.369 -0.832 . . . . 0.86 109.132 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.56 -42.66 98.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.533 -0.729 . . . . 1.52 110.319 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.77 -46.67 86.94 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.704 -1.247 . . . . 1.91 110.5 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.38 -49.86 75.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.922 -1.111 . . . . 2.46 110.684 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.494 HD11 ' NZ ' ' A' ' 38' ' ' LYS . 17.6 tp -65.44 -39.77 92.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.872 -1.143 . . . . 1.54 108.46 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 35' ' ' LEU . 8.5 tt -68.73 -9.82 52.88 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.053 -0.522 . . . . 1.45 110.212 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.558 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 94.1 m -68.86 -79.99 0.05 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 118.898 -1.121 . . . . 1.68 112.278 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -134.43 28.24 3.69 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.933 -1.104 . . . . 3.08 112.37 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.494 ' NZ ' HD11 ' A' ' 34' ' ' LEU . 4.5 tmmm? -70.14 151.75 45.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.453 -1.405 . . . . 3.33 108.225 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -72.22 57.84 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 2.66 108.964 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.3 p -90.26 -8.92 49.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.505 -0.747 . . . . 2.22 110.391 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -57.77 -15.08 7.02 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 118.687 -1.205 . . . . 3.09 109.285 -178.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.1 m -75.18 -41.62 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.113 -0.992 . . . . 2.41 109.601 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.67 11.25 26.63 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.702 -1.221 . . . . 1.56 107.702 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.828 HD11 HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -161.6 -167.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.868 -1.53 . . . . 1.14 106.868 -179.38 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.671 ' N ' HG23 ' A' ' 44' ' ' ILE . 40.2 t -140.61 120.75 13.79 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.837 -1.165 . . . . 1.71 110.286 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.584 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -105.12 109.34 21.29 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.005 -1.48 . . . . 1.46 107.005 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.463 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 13.2 t -52.77 148.03 8.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.721 -1.237 . . . . 2.04 109.792 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.24 25.46 23.37 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 108.41 -1.876 . . . . 1.95 108.41 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -115.3 -103.75 0.41 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.422 -1.046 . . . . 3.56 110.062 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.84 -110.81 0.77 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.958 -1.257 . . . . 1.32 109.958 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -139.38 84.68 2.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.596 -0.943 . . . . 1.06 109.677 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' H ' ' CG2' ' A' ' 47' ' ' THR . 92.1 mt-10 -132.7 130.95 40.72 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.593 -1.262 . . . . 2.5 107.593 178.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.443 ' CG ' HD11 ' A' ' 35' ' ' LEU . 31.4 t80 -121.4 130.78 53.8 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.247 -0.908 . . . . 0.82 109.101 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -116.6 116.52 27.74 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.234 -0.916 . . . . 2.34 111.111 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.828 HD23 HD11 ' A' ' 44' ' ' ILE . 2.7 mt -87.37 75.29 9.27 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.819 -0.808 . . . . 1.3 108.819 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -78.46 -49.66 13.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.605 -0.685 . . . . 1.6 111.911 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' ASP . 96.0 m-20 -134.72 69.07 72.09 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.157 -0.964 . . . . 2.54 111.082 -178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -67.22 69.88 0.61 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.589 1.526 . . . . 1.09 108.657 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 26.4 p-10 -69.57 -49.04 58.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.929 -1.107 . . . . 2.89 110.121 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 72.9 mm-40 -89.73 -32.64 16.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.918 -1.114 . . . . 3.15 109.78 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.32 -43.98 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.059 -1.025 . . . . 0.8 109.129 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.97 -46.6 74.14 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.115 -0.991 . . . . 0.84 109.259 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -65.3 -43.82 89.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.264 -0.897 . . . . 3.69 109.956 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -65.26 -43.93 89.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.212 -0.93 . . . . 3.46 110.578 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -62.07 -41.05 97.75 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.419 -0.801 . . . . 1.08 109.121 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.49 -37.56 11.97 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.644 -0.982 . . . . 1.09 110.644 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -64.44 -35.19 80.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.348 . . . . 2.71 108.808 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.3 -24.44 63.28 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.864 -1.161 . . . . 3.88 107.864 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -94.18 12.21 27.39 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.228 -0.656 . . . . 2.56 109.228 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 62.62 24.73 14.73 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 109.159 -0.682 . . . . 3.49 109.159 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -140.25 71.57 33.22 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.326 -0.858 . . . . 2.35 108.906 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -69.5 2.5 3.33 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.864 1.71 . . . . 2.96 109.168 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -91.0 -0.53 57.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 5.24 109.864 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mmt -81.62 124.56 29.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.2 -0.938 . . . . 2.41 110.218 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -72.49 177.3 4.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.575 -0.703 . . . . 1.48 110.227 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -64.05 -15.73 60.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.938 . . . . 1.07 109.556 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.76 -37.06 77.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.996 -1.065 . . . . 2.53 111.218 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -58.32 -29.26 65.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.424 -1.422 . . . . 4.23 109.425 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.96 -42.0 73.75 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.063 -1.023 . . . . 1.17 108.795 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.2 p -59.93 -45.23 93.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.108 . . . . 1.39 109.734 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.541 HH22 ' H42' ' B' ' 7' ' ' ' DC' . 28.9 ttm-85 -64.99 -39.9 94.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.236 -0.915 . . . . 4.74 109.999 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.55 -45.22 6.96 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.963 -1.113 . . . . 0.8 110.763 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.724 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -64.04 -40.45 96.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.092 -1.24 . . . . 1.57 110.22 -178.493 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.669 ' C ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -56.96 -41.88 79.11 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.084 -1.635 . . . . 2.34 110.781 -178.171 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -75.94 -6.99 53.5 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.759 -1.213 . . . . 1.39 110.087 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.445 ' HH ' HE22 ' A' ' 26' ' ' GLN . 6.7 t80 -76.34 6.04 6.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.179 -0.951 . . . . 1.27 112.08 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 15.7 m-85 -82.59 23.57 0.78 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.022 -1.674 . . . . 1.65 108.951 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.82 -41.06 68.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.156 -0.965 . . . . 2.74 108.964 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -107.52 142.41 37.45 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.83 -1.174 . . . . 2.52 107.83 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 23.3 p-10 -78.02 87.42 4.17 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.229 1.014 . . . . 2.8 109.628 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -137.32 -43.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.82 -1.178 . . . . 1.28 107.82 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.555 HD12 ' CE2' ' A' ' 104' ' ' PHE . 4.1 tt -140.13 133.84 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 1.09 109.204 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.502 ' NE2' ' CG1' ' A' ' 105' ' ' VAL . 4.8 p80 -137.71 155.95 48.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.463 -0.773 . . . . 1.79 109.556 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -71.25 143.96 50.21 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.695 -0.628 . . . . 2.83 110.033 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 m -88.34 142.61 27.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 1.24 108.733 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.12 7.65 0.93 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.446 -0.783 . . . . 2.47 110.87 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.2 -98.52 0.22 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.005 -1.638 . . . . 2.32 109.005 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.517 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.7 mmmt -105.16 -178.82 3.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.604 -0.939 . . . . 3.6 109.457 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -85.1 -8.42 58.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.942 . . . . 5.66 109.24 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -105.12 -0.14 26.89 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.357 -0.839 . . . . 1.27 111.081 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.517 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -89.56 124.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.762 -1.211 . . . . 1.14 110.094 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.773 ' CD2' HD12 ' A' ' 55' ' ' LEU . 76.6 m-85 -112.85 150.09 32.2 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.587 -0.894 . . . . 1.23 108.587 178.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -147.67 156.86 43.21 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.312 -0.867 . . . . 2.9 108.886 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CE2' HD12 ' A' ' 92' ' ' ILE . 22.3 m-85 -130.23 161.59 30.85 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.49 0.662 . . . . 1.16 109.829 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.502 ' CG1' ' NE2' ' A' ' 93' ' ' HIS . 15.6 m . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 117.832 -1.08 . . . . 1.98 110.048 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.811 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.064 4.081 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.466 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.242 4.303 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.413 H2'' " O5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.957 3.947 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.464 ' C5 ' ' C6 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.927 1 O4'-C1'-N19 111.149 4.187 . . . . 1.3 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.464 ' C6 ' ' C5 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.628 4.785 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.479 H2'' " O4'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.416 0 O4'-C1'-N19 110.799 3.749 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.597 ' H41' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.08 1 O4'-C1'-N19 111.616 4.771 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.418 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.848 1 O4'-C1'-N19 111.006 4.008 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.418 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.457 4.571 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.552 4.689 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.52 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.002 1 O4'-C1'-N19 111.4 4.499 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.52 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.424 1 O4'-C1'-N19 111.521 4.651 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.438 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.543 4.028 1 O4'-C1'-N19 111.568 4.71 . . . . 0.87 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.438 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O4'-C1'-N19 111.313 4.391 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.084 0 O4'-C1'-N19 110.512 3.39 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.427 H2'' " O5'" ' B' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.525 1 O4'-C1'-N19 111.272 4.339 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . 0.427 " O5'" H2'' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 111.172 4.215 . . . . 2.37 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.87 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.796 3.745 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.484 3.355 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.179 4.223 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.412 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.589 4.736 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.431 ' C2 ' ' O2 ' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 111.353 4.441 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.83 5.037 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.513 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.539 0 O4'-C1'-N19 110.557 3.446 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.513 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.475 4.594 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.725 3.656 . . . . 1.02 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.465 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O4'-C1'-N19 110.742 3.677 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.465 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.938 0 O4'-C1'-N19 110.618 3.523 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 1 O4'-C1'-N19 111.77 4.963 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.424 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.954 0 O4'-C1'-N19 110.599 3.498 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.457 H2'' " O5'" ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.817 1 O4'-C1'-N19 111.832 5.04 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.457 " O5'" H2'' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.396 0 O4'-C1'-N19 110.201 3.001 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.406 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 111.019 4.024 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.406 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.83 3.787 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.438 0.637 . . . . 3.34 110.061 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 11' ' ' ILE . 7.1 tp -141.17 74.41 24.96 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.222 -0.923 . . . . 3.52 108.63 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -74.01 -6.96 19.32 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 N-CA-C 108.843 -1.253 . . . . 3.56 108.843 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.12 -55.85 9.27 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.17 -0.956 . . . . 2.93 109.371 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.77 -18.05 65.06 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.047 -0.723 . . . . 3.29 109.047 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.77 -19.76 28.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.426 -0.796 . . . . 2.93 110.437 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -89.25 -79.72 0.32 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.122 -0.986 . . . . 3.23 109.76 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.54 -42.17 18.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.869 . . . . 3.32 109.934 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.96 80.32 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.531 -1.428 . . . . 3.34 109.531 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.413 ' CZ ' HG22 ' A' ' 25' ' ' ILE . 9.0 p90 -75.09 125.96 30.02 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.805 -1.409 . . . . 3.66 109.368 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 22' ' ' SER . 63.9 p -89.43 -175.69 4.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.59 -0.694 . . . . 4.79 109.888 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.02 -0.96 0.3 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 109.818 -1.313 . . . . 5.2 109.818 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 20' ' ' THR . 47.2 t -101.5 129.91 47.65 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.848 -1.168 . . . . 4.83 107.848 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.77 63.85 3.48 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.92 -1.672 . . . . 3.71 108.92 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.49 136.57 70.34 Favored 'Trans proline' 0 C--N 1.318 -1.069 0 C-N-CA 121.166 1.244 . . . . 3.25 110.189 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.2 tt -77.94 -178.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 107.755 -1.202 . . . . 2.8 107.755 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.541 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 7.1 tm0? -78.75 151.8 31.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.646 -1.283 . . . . 1.66 108.363 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.642 HD11 ' CZ2' ' A' ' 65' ' ' TRP . 11.9 tp -62.47 -66.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.912 -1.118 . . . . 1.54 111.21 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 48.0 p-90 -60.15 -35.71 75.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.18 . . . . 1.16 110.981 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -59.64 -40.2 86.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.396 -1.44 . . . . 2.34 107.429 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -68.92 -47.53 65.51 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.04 -1.096 . . . . 0.86 108.04 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.38 -45.16 94.53 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.326 -0.99 . . . . 1.52 108.326 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -58.08 -52.76 64.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 1.91 109.432 -179.386 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.9 -46.96 87.66 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.914 -1.143 . . . . 2.46 107.914 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -60.58 -42.32 96.43 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.145 -1.057 . . . . 1.54 108.145 178.627 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.0 tt -45.78 -52.78 10.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.294 -0.879 . . . . 1.45 109.71 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -131.11 72.66 1.51 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.968 -1.082 . . . . 1.68 111.518 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 21.2 p-10 -109.26 -51.27 2.9 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.234 -0.916 . . . . 3.08 109.484 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 42.8 pttt -104.91 -160.77 0.78 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.846 -0.798 . . . . 3.33 108.846 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -66.83 -36.22 81.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.07 -1.019 . . . . 2.66 108.909 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 57.9 m 53.44 27.11 6.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 2.22 110.646 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.58 -48.0 5.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.013 -1.054 . . . . 3.09 110.425 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -77.62 -11.84 59.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.437 -0.789 . . . . 2.41 111.361 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -109.61 -12.47 14.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.079 -1.013 . . . . 1.56 109.636 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.53 ' CG1' ' H ' ' A' ' 45' ' ' SER . 7.5 tt -166.41 -176.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.194 -0.941 . . . . 1.14 109.721 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.53 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 31.4 t -113.9 110.53 20.25 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.28 -0.888 . . . . 1.71 111.131 -179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.89 104.37 11.55 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 106.899 -1.519 . . . . 1.46 106.899 178.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -76.79 146.49 37.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.546 -1.346 . . . . 2.04 110.144 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.69 66.52 1.38 Allowed Glycine 0 N--CA 1.496 2.692 0 N-CA-C 109.707 -1.357 . . . . 1.95 109.707 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -122.92 -124.64 0.26 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.453 -1.028 . . . . 3.56 109.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.9 -81.9 0.75 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.548 -1.821 . . . . 1.32 108.548 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -159.89 76.46 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -1.157 . . . . 1.06 108.958 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -125.64 135.46 52.17 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.785 -1.191 . . . . 2.5 107.785 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD1' HD21 ' A' ' 35' ' ' LEU . 50.2 t80 -126.98 131.92 50.93 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.731 -0.606 . . . . 0.82 109.718 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -124.57 132.85 53.43 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.52 -0.737 . . . . 2.34 109.868 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.2 mp -92.38 108.65 20.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.326 -0.858 . . . . 1.3 110.943 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.8 t -83.14 -67.7 0.77 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 1.6 109.817 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' ASP . 74.4 m-20 -143.75 71.13 17.19 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.373 -0.829 . . . . 2.54 110.562 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -65.15 50.67 0.21 Allowed 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.375 1.383 . . . . 1.09 109.33 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t0 -67.32 -39.44 85.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.903 -1.123 . . . . 2.89 109.288 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -73.75 -36.47 65.13 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.361 -0.837 . . . . 3.15 108.792 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.18 -37.76 78.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.735 -0.603 . . . . 0.8 110.093 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.33 90.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.737 -1.227 . . . . 0.84 109.206 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 -60.3 -45.45 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.343 -0.848 . . . . 3.69 109.049 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 64' ' ' ARG . 25.4 mtt-85 -61.62 -40.25 94.17 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.146 -0.971 . . . . 3.46 109.74 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.642 ' CZ2' HD11 ' A' ' 27' ' ' LEU . 7.2 t-105 -64.49 -35.48 81.08 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.591 0.71 . . . . 1.08 109.692 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.35 -33.22 9.58 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.694 -0.765 . . . . 1.09 111.249 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.76 -41.05 94.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.671 -1.487 . . . . 2.71 110.261 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.96 -33.1 72.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.811 -1.181 . . . . 3.88 109.53 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -92.92 1.36 57.34 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.241 -0.912 . . . . 2.56 109.118 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 54.96 46.9 23.38 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 112.63 0.604 . . . . 3.49 112.63 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -95.39 159.49 32.65 Favored Pre-proline 0 N--CA 1.505 2.319 0 O-C-N 120.699 -1.251 . . . . 2.35 108.242 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -63.16 -61.15 0.14 Allowed 'Trans proline' 0 N--CA 1.48 0.71 0 C-N-CA 121.155 1.236 . . . . 2.96 109.468 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -134.01 145.29 49.33 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.348 -0.982 . . . . 5.24 108.348 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 30.4 ttm -126.59 99.76 5.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.267 -0.896 . . . . 2.41 109.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' ASN . 25.9 p30 -70.54 159.1 34.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.228 -0.92 . . . . 1.48 109.393 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.55 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 t80 -69.43 -21.43 63.74 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.365 -0.834 . . . . 1.07 109.208 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.556 ' OE2' ' NH2' ' A' ' 81' ' ' ARG . 57.3 tt0 -59.71 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.519 -0.738 . . . . 2.53 109.98 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.72 -39.55 68.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 4.23 110.07 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.45 -43.23 81.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.043 -1.036 . . . . 1.17 109.856 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' OP1' ' B' ' 7' ' ' ' DC' . 23.0 m -63.88 -45.09 90.97 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.24 . . . . 1.39 108.025 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.597 ' NH2' ' H41' ' B' ' 7' ' ' ' DC' . 85.6 mtt180 -68.63 -46.23 69.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.44 -0.788 . . . . 4.74 110.648 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -51.68 12.06 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.036 -1.078 . . . . 0.8 111.595 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.471 HD21 HD12 ' A' ' 92' ' ' ILE . 8.0 tt -60.42 -30.98 69.97 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.958 -1.319 . . . . 1.57 110.855 -178.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -52.7 -49.95 64.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.593 -1.317 . . . . 2.34 108.843 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.28 -12.15 8.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.455 -0.778 . . . . 1.39 110.584 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.481 ' C ' ' H ' ' A' ' 88' ' ' ASP . 2.6 t80 -72.3 2.31 6.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.101 -0.999 . . . . 1.27 110.427 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.71 6.08 0.38 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.48 -1.388 . . . . 1.65 109.182 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 86' ' ' TYR . 83.3 m-20 -69.5 -41.29 76.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.149 -1.056 . . . . 2.74 108.149 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -108.48 132.05 54.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.386 -1.339 . . . . 2.52 107.386 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -81.33 87.18 6.16 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.697 -1.252 . . . . 2.8 108.205 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -135.39 -49.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.695 -0.854 . . . . 1.28 108.695 -179.358 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -129.61 111.59 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.386 -0.968 . . . . 1.09 108.386 178.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.494 ' N ' HD13 ' A' ' 92' ' ' ILE . 13.1 m170 -106.16 153.82 21.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.654 -0.654 . . . . 1.79 109.255 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -84.74 131.7 34.53 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.612 -1.255 . . . . 2.83 107.612 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.7 m -87.56 132.24 34.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.18 -0.95 . . . . 1.24 110.177 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.37 51.38 1.81 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.349 -0.845 . . . . 2.47 108.892 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.96 -84.68 0.84 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.715 -1.754 . . . . 2.32 108.715 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.606 ' H ' HG21 ' A' ' 101' ' ' VAL . 82.2 tttt -120.75 -64.36 1.25 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.597 -0.943 . . . . 3.6 108.894 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -171.9 -38.84 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.065 -1.022 . . . . 5.66 110.797 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -103.42 25.34 9.73 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.041 -1.037 . . . . 1.27 108.283 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.606 HG21 ' H ' ' A' ' 98' ' ' LYS . 1.8 t -92.55 119.19 39.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.742 0.782 . . . . 1.14 109.992 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 13.8 m-85 -116.59 151.86 35.36 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.11 -0.7 . . . . 1.23 109.11 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -154.05 156.23 36.94 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.802 -0.814 . . . . 2.9 108.802 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.479 ' CE1' HD12 ' A' ' 35' ' ' LEU . 22.3 m-85 -120.71 152.75 37.85 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.707 -0.62 . . . . 1.16 109.585 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.881 -1.057 . . . . 1.98 109.309 -179.253 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.511 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.931 3.913 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.441 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.553 3.442 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.957 3.946 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.59 1 O4'-C1'-N19 111.328 4.411 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.455 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.537 1 O4'-C1'-N19 111.111 4.138 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.508 ' OP1' ' CE2' ' A' ' 100' ' ' TYR . . . . . . . . 0 C5'--C4' 1.54 3.66 1 O4'-C1'-N19 111.223 4.278 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.416 ' N4 ' ' OE1' ' A' ' 77' ' ' GLU . . . . . . . . 0 C5'--C4' 1.541 3.809 0 O4'-C1'-N19 110.967 3.959 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.466 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.651 0 O4'-C1'-N19 110.858 3.823 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.492 ' O6 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.922 3.903 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.425 " O5'" H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.374 1 O4'-C1'-N19 112.282 5.603 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.629 4.786 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.772 1 O4'-C1'-N19 111.944 5.179 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.47 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.233 1 O4'-C1'-N19 111.339 4.424 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.47 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.971 1 O4'-C1'-N19 111.988 5.235 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.454 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.104 0 O4'-C1'-N19 110.883 3.853 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 1 O4'-C1'-N19 111.601 4.751 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.461 4.576 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 111.321 4.401 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.467 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.405 0 O4'-C1'-N19 110.3 3.126 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.404 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.983 3.979 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 111.581 4.726 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.75 3.688 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.438 ' OP2' ' NZ ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.848 1 O4'-C1'-N19 111.963 5.204 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.421 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.894 1 O4'-C1'-N19 111.175 4.219 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.522 H2'' " O5'" ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.913 1 O4'-C1'-N19 112.504 5.88 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.522 " O5'" H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.787 1 O4'-C1'-N19 111.995 5.244 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.314 1 O4'-C1'-N19 111.042 4.052 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 1 O4'-C1'-N19 111.317 4.397 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.567 4.708 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.528 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.549 4.698 0 O4'-C1'-N19 110.765 3.706 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.528 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.424 4.53 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.673 3.592 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.527 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.65 3.563 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.527 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.725 0 O4'-C1'-N19 110.796 3.745 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 10' ' ' VAL . 14.6 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.772 0.796 . . . . 3.34 109.141 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.776 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -143.9 61.8 9.85 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 108.014 -1.106 . . . . 3.52 108.014 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -66.98 -4.92 12.29 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 N-CA-C 108.989 -1.196 . . . . 3.56 108.989 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.488 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . . . -61.1 -39.39 89.75 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.623 -0.673 . . . . 2.93 109.617 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.23 94.64 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.158 -0.964 . . . . 3.29 110.319 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.19 -27.51 22.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.97 -1.081 . . . . 2.93 109.68 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.5 tp -83.89 -10.52 57.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -0.915 . . . . 3.23 109.439 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 13' ' ' ALA . . . -79.88 -89.7 0.06 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 120.803 -1.186 . . . . 3.32 109.002 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.74 33.72 55.79 Favored Glycine 0 N--CA 1.484 1.895 0 N-CA-C 107.873 -2.091 . . . . 3.34 107.873 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.533 ' CD2' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -73.86 80.02 1.62 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.544 -0.974 . . . . 3.66 110.384 -178.442 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -115.2 -29.7 6.54 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.527 -0.916 . . . . 4.79 108.527 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -42.94 98.36 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 109.997 -1.241 . . . . 5.2 109.997 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.6 m -100.23 -8.99 22.9 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.228 -1.16 . . . . 4.83 109.122 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.42 -118.11 6.54 Favored Glycine 0 CA--C 1.55 2.275 0 C-N-CA 120.046 -1.073 . . . . 3.71 111.049 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -56.34 130.71 41.57 Favored 'Trans proline' 0 N--CA 1.479 0.673 0 CA-C-N 118.895 1.347 . . . . 3.25 110.243 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.533 HD13 ' CD2' ' A' ' 19' ' ' TYR . 10.0 tp -83.76 146.96 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.372 -0.83 . . . . 2.8 109.468 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 3.6 tm0? -88.9 153.72 20.82 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.976 -1.077 . . . . 1.66 108.91 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD23 ' C ' ' A' ' 27' ' ' LEU . 9.8 tt -56.54 -56.53 20.16 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.755 -1.215 . . . . 1.54 112.242 -178.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.501 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 59.1 p-90 -74.54 -31.14 62.02 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.366 -1.459 . . . . 1.16 110.884 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -59.85 -39.87 86.66 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.401 -1.333 . . . . 2.34 107.401 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -65.32 -56.36 13.1 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.482 -0.933 . . . . 0.86 108.482 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.9 -43.94 94.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.678 -0.639 . . . . 1.52 110.01 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -44.17 97.17 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.792 -1.193 . . . . 1.91 109.274 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -64.97 -44.25 89.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.803 -1.185 . . . . 2.46 108.223 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.95 -42.66 94.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.316 -1.365 . . . . 1.54 107.316 178.765 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.534 HD11 ' CG ' ' A' ' 53' ' ' PHE . 8.6 tp -50.31 -40.01 47.37 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.575 -0.703 . . . . 1.45 109.864 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -108.07 50.29 0.78 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.278 -0.889 . . . . 1.68 110.339 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -107.46 -115.3 0.27 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.139 -0.975 . . . . 3.08 109.67 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.547 ' NZ ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pttt -64.6 -171.63 0.06 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.219 -0.926 . . . . 3.33 110.091 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 41' ' ' GLN . 32.8 t -69.14 -44.28 72.64 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.706 -0.85 . . . . 2.66 108.706 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ILE . 5.0 t 59.24 1.3 0.22 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.488 -0.757 . . . . 2.22 109.902 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' A' ' 39' ' ' SER . 96.4 mt-30 -59.84 -40.25 87.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.981 . . . . 3.09 110.192 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 43' ' ' PHE . 82.7 p -79.51 -10.89 59.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 2.41 109.684 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CD1' ' NZ ' ' A' ' 38' ' ' LYS . 87.6 m-85 -111.47 -15.21 13.59 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.54 -0.725 . . . . 1.56 109.832 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.65 HD11 ' HG ' ' A' ' 55' ' ' LEU . 6.9 tt -164.31 -178.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.347 -0.941 . . . . 1.14 109.422 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 t -113.54 111.29 21.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.168 -0.957 . . . . 1.71 110.324 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 109.88 19.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 106.283 -1.747 . . . . 1.46 106.283 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -55.87 142.77 33.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.59 -1.319 . . . . 2.04 109.608 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.35 17.73 55.04 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.166 -1.573 . . . . 1.95 109.166 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -109.15 -106.52 0.35 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.43 -1.041 . . . . 3.56 110.977 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -110.41 0.32 Allowed Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.099 -1.601 . . . . 1.32 109.099 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -143.2 100.21 3.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.22 -1.165 . . . . 1.06 110.497 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -147.83 131.86 17.24 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.504 -1.295 . . . . 2.5 107.504 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 41.6 t80 -123.17 127.02 48.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.511 -0.743 . . . . 0.82 110.109 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -124.92 132.4 53.3 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.434 -0.791 . . . . 2.34 108.884 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.65 ' HG ' HD11 ' A' ' 44' ' ' ILE . 7.8 mp -89.51 90.4 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.124 -0.985 . . . . 1.3 109.427 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -71.22 -48.47 51.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 1.6 109.67 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 43' ' ' PHE . 20.7 p-10 -148.53 79.98 8.55 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.212 -0.93 . . . . 2.54 111.185 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -76.8 50.48 3.06 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 120.92 1.08 . . . . 1.09 109.828 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 40.5 p-10 -68.46 -42.94 78.06 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.405 -1.434 . . . . 2.89 110.58 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 10.2 tp10 -80.5 -40.54 25.9 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.624 -1.297 . . . . 3.15 109.658 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.57 -44.43 93.84 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.438 -0.789 . . . . 0.8 110.148 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.7 54.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.041 -1.037 . . . . 0.84 109.659 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.74 -42.23 95.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.144 -0.972 . . . . 3.69 109.262 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 64' ' ' ARG . 24.9 ttt-85 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 3.46 109.093 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.434 ' CD2' HD21 ' A' ' 79' ' ' LEU . 52.3 t-105 -52.09 -36.31 50.5 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.235 -0.916 . . . . 1.08 108.975 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -86.68 -22.41 46.77 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.156 -1.021 . . . . 1.09 110.988 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -63.39 -35.63 81.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.563 -1.551 . . . . 2.71 110.247 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -55.15 -40.09 70.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.885 -1.134 . . . . 3.88 108.551 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -103.05 20.81 16.88 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.73 -0.841 . . . . 2.56 108.73 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.12 57.51 4.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.503 -0.748 . . . . 3.49 110.367 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 66' ' ' GLY . 41.5 mmtm -137.06 68.49 56.68 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 121.008 -1.058 . . . . 2.35 109.75 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -67.72 -5.2 13.74 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.182 1.254 . . . . 2.96 109.531 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -93.66 -0.93 55.86 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.15 -0.969 . . . . 5.24 110.385 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.7 mmt -85.68 106.77 17.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.868 -1.145 . . . . 2.41 110.335 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -71.49 -178.4 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.133 0.968 . . . . 1.48 110.904 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.471 ' OH ' ' OH ' ' A' ' 102' ' ' TYR . 82.5 t80 -58.15 -29.04 65.26 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.794 -0.639 . . . . 1.07 109.483 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' OE1' ' N4 ' ' B' ' 7' ' ' ' DC' . 30.4 mm-40 -59.15 -30.09 67.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.094 -1.004 . . . . 2.53 109.033 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' NZ ' ' H73' ' C' ' 25' ' ' ' DT' . 42.8 tptt -55.2 -40.4 70.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.688 -1.227 . . . . 4.23 107.688 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD21 ' CD2' ' A' ' 65' ' ' TRP . 33.4 mt -68.09 -40.81 82.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.465 -0.772 . . . . 1.17 109.52 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -62.25 -49.54 75.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.71 -1.244 . . . . 1.39 109.606 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.618 ' CG ' HH11 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.68 -42.14 82.57 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.196 -1.001 . . . . 4.74 108.829 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.03 -52.44 23.62 Favored Glycine 0 N--CA 1.496 2.669 0 C-N-CA 120.162 -1.018 . . . . 0.8 110.887 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.846 HD11 HG21 ' A' ' 92' ' ' ILE . 24.5 tp -67.77 -33.63 75.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.924 -1.339 . . . . 1.57 110.468 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.543 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.2 tmt_? -58.27 -50.89 72.0 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.165 -0.96 . . . . 2.34 110.138 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -71.54 -16.69 62.33 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.006 -1.059 . . . . 1.39 109.095 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 26.7 t80 -73.29 7.1 2.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.635 -0.665 . . . . 1.27 112.454 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.543 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 37.9 m-85 -78.93 20.75 0.45 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.042 -1.661 . . . . 1.65 108.574 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 86' ' ' TYR . 84.4 m-20 -72.19 -34.06 68.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.355 -0.84 . . . . 2.74 109.229 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 91' ' ' ILE . 11.9 mptt -103.76 140.68 37.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.926 -1.139 . . . . 2.52 107.926 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -76.27 92.54 3.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.866 -1.146 . . . . 2.8 108.084 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.965 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -142.19 -87.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.827 -0.624 . . . . 1.28 109.586 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.965 ' H ' HG23 ' A' ' 91' ' ' ILE . 19.9 tt -94.93 127.9 46.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.966 -1.084 . . . . 1.09 110.343 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -128.37 138.23 52.26 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.317 -0.994 . . . . 1.79 108.317 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -72.22 156.11 39.5 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.815 -1.178 . . . . 2.83 109.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 97' ' ' GLY . 89.3 m -89.82 137.47 32.31 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.205 -0.934 . . . . 1.24 108.673 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.44 10.53 0.46 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 2.47 110.757 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.495 ' H ' HG22 ' A' ' 95' ' ' THR . . . -79.83 -89.08 0.5 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.377 -1.489 . . . . 2.32 109.377 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.442 ' H ' HG21 ' A' ' 101' ' ' VAL . 89.7 mttt -107.94 178.4 4.53 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.329 -1.101 . . . . 3.6 108.354 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -89.34 -9.41 50.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.662 -1.274 . . . . 5.66 109.582 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.508 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 80.7 m-85 -99.95 2.58 43.72 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.128 -0.982 . . . . 1.27 110.411 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.442 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.7 m -94.21 125.58 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.711 -1.243 . . . . 1.14 110.273 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.533 ' CD1' HD13 ' A' ' 55' ' ' LEU . 7.9 m-85 -112.35 150.08 31.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.63 -0.878 . . . . 1.23 108.63 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' A' ' 103' ' ' ARG . 37.9 ttt-85 -149.02 158.19 43.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.068 -1.02 . . . . 2.9 109.979 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.721 ' CE2' HD12 ' A' ' 92' ' ' ILE . 81.2 m-85 -128.03 159.56 34.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.526 -0.733 . . . . 1.16 109.558 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 91' ' ' ILE . 19.3 m . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 118.049 -0.977 . . . . 1.98 109.367 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.414 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.485 3.357 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.414 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.622 4.778 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.828 3.785 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 1 O4'-C1'-N19 111.162 4.203 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.469 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.124 1 O4'-C1'-N19 111.472 4.591 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.533 H2'' " O4'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 C3'-C2'-C1' 106.804 2.931 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.533 " O4'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.552 5.12 1 O4'-C1'-N19 112.32 5.65 . . . . 1.38 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.763 0 O4'-C1'-N19 110.878 3.848 . . . . 1.16 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.294 4.368 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.416 H2'' " O5'" ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.064 4.08 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.461 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.62 4.775 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.461 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.965 1 O4'-C1'-N19 111.296 4.37 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.575 1 O4'-C1'-N19 111.55 4.688 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.957 1 O4'-C1'-N19 111.299 4.373 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.528 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.657 3.571 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.528 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.16 4.201 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.495 1 O4'-C1'-N19 111.509 4.636 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.866 3.832 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 C3'-C2'-C1' 106.798 2.927 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 1 O4'-C1'-N19 111.186 4.233 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.434 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.326 1 O4'-C1'-N19 111.967 5.209 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.434 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.352 0 O4'-C1'-N19 110.854 3.817 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.467 ' OP1' ' CE2' ' A' ' 86' ' ' TYR . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 111.673 4.842 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.516 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.486 0 O4'-C1'-N19 110.494 3.368 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.516 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.551 4.688 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.592 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.357 4.446 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.592 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.936 3.921 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.508 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.961 3.952 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 1 O4'-C1'-N19 111.495 4.619 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.453 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.999 1 O4'-C1'-N19 111.455 4.568 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.453 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.975 0 O4'-C1'-N19 110.889 3.861 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.973 0 O4'-C1'-N19 110.386 3.233 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.438 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.36 0 O4'-C1'-N19 110.731 3.664 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.438 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.559 0 O4'-C1'-N19 110.053 2.816 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.278 0.561 . . . . 3.34 109.778 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.652 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 10.0 tp -141.44 36.87 0.25 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.179 -0.951 . . . . 3.52 110.609 178.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 4.1 Cg_exo -55.72 -11.68 5.44 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 N-CA-C 108.944 -1.214 . . . . 3.56 108.944 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.49 69.47 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.315 -0.865 . . . . 2.93 109.776 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.82 71.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.286 -0.884 . . . . 3.29 110.184 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.93 -30.71 21.14 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.169 -0.957 . . . . 2.93 109.814 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.1 mt -88.7 1.45 55.1 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.078 -1.013 . . . . 3.23 108.568 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLY . . . -81.71 -81.32 0.14 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.233 -1.025 . . . . 3.32 108.233 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . 44.74 33.52 3.45 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.811 -1.716 . . . . 3.34 108.811 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -68.44 80.04 0.26 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.509 -0.995 . . . . 3.66 110.066 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 t -98.54 1.05 46.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.979 -1.075 . . . . 4.79 109.09 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.13 -43.93 96.48 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.093 -1.203 . . . . 5.2 110.093 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.1 t -131.5 39.69 3.48 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.492 -1.005 . . . . 4.83 110.085 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.31 -107.87 0.12 Allowed Glycine 0 N--CA 1.496 2.669 0 N-CA-C 110.026 -1.23 . . . . 3.71 110.026 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -53.73 134.04 56.83 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 CA-C-N 118.922 1.361 . . . . 3.25 110.415 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 pt -83.88 164.27 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.477 -0.764 . . . . 2.8 110.386 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.57 ' NE2' ' OH ' ' A' ' 86' ' ' TYR . 1.8 tm0? -90.63 145.44 24.84 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.495 -1.298 . . . . 1.66 107.495 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 27' ' ' LEU . 1.2 tm? -56.33 -59.49 4.88 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.743 -1.223 . . . . 1.54 111.501 -177.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.555 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.0 p-90 -72.3 -36.91 69.04 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.741 -1.224 . . . . 1.16 113.054 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -58.71 -38.21 77.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 117.677 -1.609 . . . . 2.34 108.181 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.95 -45.96 66.31 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.376 -0.827 . . . . 0.86 110.515 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 tp -67.47 -43.7 80.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.897 -1.127 . . . . 1.52 110.218 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.37 -46.71 88.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 1.91 109.163 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.09 -40.08 94.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.702 -1.249 . . . . 2.46 108.529 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.55 -28.44 69.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 1.54 109.802 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 4.8 mp -60.04 -41.37 92.13 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.527 -1.358 . . . . 1.45 108.397 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.1 p -109.42 61.16 0.6 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.272 -0.893 . . . . 1.68 110.676 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 -104.31 0.21 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.01 -1.056 . . . . 3.08 109.933 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 174.38 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.444 -0.785 . . . . 3.33 110.32 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -74.48 114.95 13.46 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.661 0.743 . . . . 2.66 109.05 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.1 m -80.63 6.67 12.02 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 122.003 0.906 . . . . 2.22 109.157 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -98.28 61.61 1.45 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.3 -0.875 . . . . 3.09 110.447 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -159.86 -55.9 0.06 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.975 -1.078 . . . . 2.41 109.264 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -124.07 19.24 9.18 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.786 -0.82 . . . . 1.56 108.786 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.511 ' CG1' ' H ' ' A' ' 45' ' ' SER . 8.0 tt -163.86 179.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.217 -0.993 . . . . 1.14 110.428 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.511 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 23.2 t -138.16 129.97 28.26 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.073 -1.017 . . . . 1.71 111.349 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.406 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.49 105.86 12.95 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 106.66 -1.607 . . . . 1.46 106.66 178.775 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.468 HG21 ' H ' ' A' ' 52' ' ' GLU . 10.7 t -63.3 141.98 58.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.494 -1.379 . . . . 2.04 109.526 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.29 30.92 9.17 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.037 -1.225 . . . . 1.95 110.037 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -120.87 -94.36 0.5 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.37 -1.076 . . . . 3.56 110.423 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.4 -108.84 0.52 Allowed Glycine 0 N--CA 1.484 1.868 0 N-CA-C 109.594 -1.402 . . . . 1.32 109.594 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.456 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 56.3 t-105 -151.09 49.37 0.84 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 1.06 109.64 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' H ' HG21 ' A' ' 47' ' ' THR . 94.5 mt-10 -99.16 108.24 20.79 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.948 -1.095 . . . . 2.5 108.45 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -107.94 130.38 55.04 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.543 -0.91 . . . . 0.82 108.543 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -138.71 138.18 37.48 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.03 -1.044 . . . . 2.34 110.739 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.24 94.96 9.81 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.833 -0.803 . . . . 1.3 108.833 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -72.56 -43.0 64.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.973 -1.079 . . . . 1.6 110.097 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ASP . 95.5 m-20 -132.11 71.32 80.01 Favored Pre-proline 0 N--CA 1.503 2.218 0 O-C-N 121.305 -0.872 . . . . 2.54 109.346 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.38 46.24 0.35 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.343 1.362 . . . . 1.09 109.886 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' ASP . 98.3 m-20 -69.35 -43.02 74.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.635 -1.291 . . . . 2.89 108.928 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -86.47 -33.84 20.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.823 . . . . 3.15 109.792 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.66 -45.25 85.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 119.498 -0.881 . . . . 0.8 109.59 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.54 92.11 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.243 -0.911 . . . . 0.84 109.924 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -68.41 -41.99 79.63 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.613 -0.679 . . . . 3.69 109.678 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.556 HH11 ' HG2' ' A' ' 64' ' ' ARG . 12.7 ttt-85 -65.74 -39.67 91.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 3.46 109.808 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.538 ' CE2' HD21 ' A' ' 79' ' ' LEU . 10.0 t-105 -55.24 -44.39 75.46 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.196 -0.94 . . . . 1.08 109.502 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.76 -15.86 64.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.566 -1.014 . . . . 1.09 110.566 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.28 -43.04 92.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.099 -1.236 . . . . 2.71 109.994 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.04 -18.22 65.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.772 -1.205 . . . . 3.88 109.062 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -92.93 6.21 48.61 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.19 -0.67 . . . . 2.56 109.19 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 57.94 40.61 25.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.386 0.612 . . . . 3.49 109.898 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -111.23 149.17 40.15 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 107.773 -1.195 . . . . 2.35 107.773 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.2 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.869 0 N-CA-C 109.161 -1.13 . . . . 2.96 109.161 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -135.11 143.97 46.88 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.57 -0.9 . . . . 5.24 108.57 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.1 mtp -125.19 140.13 53.13 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.776 -0.824 . . . . 2.41 108.776 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.66 165.04 23.76 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.936 0.874 . . . . 1.48 110.866 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.32 -20.38 66.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.127 -0.694 . . . . 1.07 109.127 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.64 -36.92 77.33 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.439 -0.788 . . . . 2.53 109.908 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -54.97 -40.52 70.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.793 -1.192 . . . . 4.23 109.537 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 65' ' ' TRP . 29.7 mt -66.48 -43.34 85.69 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.229 -0.92 . . . . 1.17 109.571 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.9 m -59.16 -51.39 70.21 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.825 -1.172 . . . . 1.39 109.779 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.533 ' NH1' HH21 ' A' ' 84' ' ' ARG . 8.8 tpm_? -69.39 -41.18 76.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 4.74 109.986 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.92 23.21 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 119.594 -1.289 . . . . 0.8 110.93 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.774 HD13 ' CE1' ' A' ' 102' ' ' TYR . 5.2 tt -67.03 -44.37 80.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.873 -1.369 . . . . 1.57 110.703 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 mtp180 -58.44 -50.56 73.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.16 -1.588 . . . . 2.34 108.863 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 40.3 t80 -53.71 -14.88 1.01 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.535 -1.353 . . . . 1.39 108.663 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.57 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.5 t80 -76.01 6.32 5.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.291 -0.881 . . . . 1.27 110.568 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 54.4 m-85 -68.89 8.4 0.53 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 1.65 109.125 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 86' ' ' TYR . 90.2 m-20 -74.33 -35.05 63.61 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.086 -1.046 . . . . 2.74 108.569 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -109.17 130.75 55.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.96 -1.126 . . . . 2.52 107.96 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -80.08 86.49 5.53 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.816 -1.177 . . . . 2.8 107.955 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -137.31 -42.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 108.278 -1.008 . . . . 1.28 108.278 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.502 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 7.1 tt -137.45 127.57 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.732 -1.23 . . . . 1.09 110.442 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' A' ' 103' ' ' ARG . 14.4 m-70 -126.46 151.18 48.11 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 108.019 -1.104 . . . . 1.79 108.019 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -90.61 147.82 23.07 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.811 -1.181 . . . . 2.83 110.729 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 97' ' ' GLY . 52.7 m -91.66 127.48 37.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.425 -0.797 . . . . 1.24 109.029 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.21 37.27 0.16 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.082 -1.011 . . . . 2.47 109.031 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -76.95 -78.94 0.71 Allowed Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.846 -1.302 . . . . 2.32 109.846 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.588 ' H ' HG21 ' A' ' 101' ' ' VAL . 83.8 tttt -108.1 -111.77 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -1.184 . . . . 3.6 108.574 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -134.93 -30.53 1.06 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.484 -1.385 . . . . 5.66 110.156 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.443 ' HH ' " C3'" ' B' ' 5' ' ' ' DG' . 97.7 m-85 -107.27 20.71 18.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.655 -0.653 . . . . 1.27 109.863 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.588 HG21 ' H ' ' A' ' 98' ' ' LYS . 1.8 t -87.89 131.79 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.887 -1.133 . . . . 1.14 111.103 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.774 ' CE1' HD13 ' A' ' 83' ' ' LEU . 35.8 m-85 -122.1 155.94 34.64 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.69 -0.856 . . . . 1.23 108.69 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 93' ' ' HIS . 31.4 ttt-85 -153.06 153.09 32.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.296 -0.878 . . . . 2.9 108.976 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.502 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 21.9 m-85 -120.73 147.68 44.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.403 -0.811 . . . . 1.16 109.98 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.096 -0.954 . . . . 1.98 109.509 -179.115 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.528 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.468 1 O4'-C1'-N19 111.422 4.528 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.61 3.513 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O4'-C1'-N19 110.735 3.669 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.796 3.745 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 1 O4'-C1'-N19 111.989 5.236 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.646 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.442 3.303 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.657 ' H42' HH21 ' A' ' 81' ' ' ARG . . . . . . . . 1 C5'--C4' 1.545 4.224 1 O4'-C1'-N19 112.051 5.313 . . . . 1.38 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.608 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.39 4.487 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.608 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.684 1 O4'-C1'-N19 111.995 5.244 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.326 1 O4'-C1'-N19 111.596 4.745 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 1 O4'-C1'-N19 111.645 4.806 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.347 1 O4'-C1'-N19 111.733 4.917 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 1 O4'-C1'-N19 111.344 4.43 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 1 O4'-C1'-N19 111.687 4.859 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.445 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.437 0 C3'-C2'-C1' 106.929 3.021 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.472 H2'' " O5'" ' B' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.195 1 O4'-C1'-N19 111.259 4.324 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . 0.472 " O5'" H2'' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.3 4.375 . . . . 2.37 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.313 1 O4'-C1'-N19 111.616 4.77 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.443 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.674 0 C3'-C2'-C1' 107.078 3.127 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.224 1 O4'-C1'-N19 111.457 4.571 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.315 1 O4'-C1'-N19 111.571 4.714 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 0 O4'-C1'-N19 110.833 3.791 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.151 1 O4'-C1'-N19 111.493 4.617 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.407 0 O4'-C1'-N19 110.765 3.706 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 112.007 5.259 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.428 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.889 3.861 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.428 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.277 1 O4'-C1'-N19 111.502 4.628 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.766 4.957 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 1 O4'-C1'-N19 112.041 5.301 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.525 0 O4'-C1'-N19 110.756 3.695 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 1 O4'-C1'-N19 111.699 4.873 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.444 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.292 3.115 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.545 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.238 4.298 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.545 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.063 0 O4'-C1'-N19 110.935 3.918 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 10' ' ' VAL . 8.1 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.415 -0.587 . . . . 3.34 109.415 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -139.55 60.14 15.71 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.455 -0.778 . . . . 3.52 110.006 178.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 1.1 Cg_endo -65.64 67.66 0.37 Allowed 'Trans proline' 0 C--N 1.312 -1.365 0 N-CA-C 107.995 -1.579 . . . . 3.56 107.995 178.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 11' ' ' ILE . . . -107.95 -102.16 0.36 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.339 -0.851 . . . . 2.93 110.185 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' HB2' HH21 ' A' ' 64' ' ' ARG . . . -59.49 -29.85 68.14 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.425 -0.797 . . . . 3.29 110.566 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.38 -24.64 36.87 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.884 -1.135 . . . . 2.93 108.836 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD13 ' C ' ' A' ' 16' ' ' LEU . 2.5 tm? -80.28 -40.34 27.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.593 0.711 . . . . 3.23 109.283 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.58 -47.61 21.94 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.467 -0.771 . . . . 3.32 110.12 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.09 34.2 11.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 108.423 -1.871 . . . . 3.34 108.423 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.46 153.94 42.78 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.741 -0.858 . . . . 3.66 109.122 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' SER . 31.5 m -90.25 130.6 36.35 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.322 -0.992 . . . . 4.79 108.322 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.95 45.34 0.31 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 110.109 -1.196 . . . . 5.2 110.109 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' THR . 72.9 m -104.48 110.98 23.47 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.163 -1.198 . . . . 4.83 109.162 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.46 164.91 5.33 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 108.568 -1.813 . . . . 3.71 108.568 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -65.02 135.31 43.38 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 121.573 1.515 . . . . 3.25 109.695 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 tt -76.66 160.31 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.122 -0.986 . . . . 2.8 109.131 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.587 ' OE1' ' NE1' ' A' ' 28' ' ' TRP . 45.7 tt0 -90.23 131.51 36.01 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.011 -1.107 . . . . 1.66 108.011 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.53 -38.85 62.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.9 -1.125 . . . . 1.54 112.426 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.587 ' NE1' ' OE1' ' A' ' 26' ' ' GLN . 6.4 p-90 -69.0 -42.97 75.74 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.787 -1.821 . . . . 1.16 110.297 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 52.8 tt0 -58.7 -45.35 89.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.519 -1.363 . . . . 2.34 107.454 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -64.97 -49.84 68.71 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.385 0.612 . . . . 0.86 109.864 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.24 -44.71 78.77 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.427 -0.795 . . . . 1.52 111.154 -178.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.17 -44.22 96.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.497 -1.377 . . . . 1.91 109.649 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -59.71 -49.29 78.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 2.46 108.722 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.06 -30.55 70.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.551 -0.718 . . . . 1.54 109.141 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 8.2 tt -51.63 -40.78 60.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.136 -0.978 . . . . 1.45 109.688 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -131.35 64.45 1.58 Allowed 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.398 -0.814 . . . . 1.68 111.143 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 38' ' ' LYS . 57.3 t0 -135.46 -60.74 0.75 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.832 -1.167 . . . . 3.08 109.773 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.771 ' NZ ' ' H ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -59.94 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.3 -0.875 . . . . 3.33 109.063 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 70.9 m -69.54 -90.04 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.287 -0.883 . . . . 2.66 109.156 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER 160.52 -65.98 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.747 -0.834 . . . . 2.22 108.747 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.72 -9.72 58.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.745 -0.597 . . . . 3.09 111.079 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 t -70.77 -42.99 69.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.886 -1.134 . . . . 2.41 109.788 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.771 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 88.0 m-85 -131.38 3.88 4.29 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.234 -0.916 . . . . 1.56 111.429 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.579 ' CG1' ' H ' ' A' ' 45' ' ' SER . 4.6 tt -165.03 -168.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 119.998 -1.689 . . . . 1.14 110.736 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.579 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 52.8 m -128.8 114.08 16.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.078 -1.014 . . . . 1.71 109.499 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.42 108.29 19.57 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 107.377 -1.342 . . . . 1.46 107.377 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -56.1 146.88 21.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.177 -0.952 . . . . 2.04 109.649 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.65 48.52 0.95 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.511 -1.436 . . . . 1.95 109.511 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -126.19 -108.63 0.31 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.394 -1.062 . . . . 3.56 109.077 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.8 -103.87 0.72 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 108.857 -1.697 . . . . 1.32 108.857 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -139.08 87.97 2.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -1.053 . . . . 1.06 109.158 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -137.33 129.09 28.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.839 -1.171 . . . . 2.5 107.839 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -118.67 126.22 51.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.382 -0.824 . . . . 0.82 109.397 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -116.73 128.31 55.2 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.502 -0.749 . . . . 2.34 109.749 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.0 mp -87.62 99.68 12.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.433 -0.792 . . . . 1.3 110.235 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.4 m -80.32 -62.38 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.658 -0.652 . . . . 1.6 110.349 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 59' ' ' ASP . 57.4 p-10 -142.83 61.29 10.62 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 120.956 -1.09 . . . . 2.54 112.61 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 57' ' ' ASP . 3.9 Cg_exo -62.6 62.23 0.14 Allowed 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 121.424 1.416 . . . . 1.09 109.589 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 57' ' ' ASP . 94.4 m-20 -71.33 -43.54 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 2.89 109.86 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -77.0 -29.37 55.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 3.15 109.485 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.3 t -66.32 -48.58 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 119.804 -0.758 . . . . 0.8 109.856 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.31 80.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.105 -0.997 . . . . 0.84 109.918 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -60.77 -44.02 97.31 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.12 -0.987 . . . . 3.69 108.99 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 64' ' ' ARG . 16.9 ttt-85 -67.76 -35.56 78.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.395 -0.816 . . . . 3.46 109.205 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CZ2' HD21 ' A' ' 79' ' ' LEU . 15.3 t-105 -53.52 -43.04 68.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.793 -0.818 . . . . 1.08 108.793 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' ASN . . . -91.0 -17.03 53.08 Favored Glycine 0 N--CA 1.496 2.686 0 C-N-CA 120.47 -0.871 . . . . 1.09 110.926 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -60.2 -44.15 95.36 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.708 -1.466 . . . . 2.71 107.792 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' NE ' HH12 ' A' ' 64' ' ' ARG . 3.4 mtt-85 -59.92 -35.22 74.43 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.517 -0.919 . . . . 3.88 108.517 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -96.11 9.22 41.57 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 2.56 109.445 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' GLY . 97.9 m-20 57.48 49.89 12.1 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.347 0.594 . . . . 3.49 110.026 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -137.86 69.84 50.68 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.564 -0.71 . . . . 2.35 109.498 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -57.51 -10.5 6.94 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 120.945 1.097 . . . . 2.96 110.232 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -103.74 27.21 7.71 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.203 -0.936 . . . . 5.24 109.349 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.7 tpp -68.13 121.43 16.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.274 -0.891 . . . . 2.41 109.981 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 36.2 t-20 -74.56 145.37 43.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.334 -0.853 . . . . 1.48 111.585 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 64.9 t80 -68.58 -39.05 81.15 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.637 0.732 . . . . 1.07 109.228 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.54 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 9.1 pt-20 -61.46 -32.12 72.1 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.261 -1.015 . . . . 2.53 108.261 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -50.56 -38.33 44.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.115 -0.99 . . . . 4.23 108.412 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.486 HD21 ' CZ2' ' A' ' 65' ' ' TRP . 2.9 mt -67.92 -36.31 79.96 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.061 -1.088 . . . . 1.17 108.061 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -58.94 -40.74 85.54 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.945 -1.102 . . . . 1.39 108.291 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.657 HH21 ' H42' ' B' ' 7' ' ' ' DC' . 97.0 mtt180 -69.34 -35.51 75.97 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.985 -1.117 . . . . 4.74 107.985 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.17 -53.08 8.04 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.809 -1.316 . . . . 0.8 109.809 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 92' ' ' ILE . 18.0 mt -60.65 -20.59 61.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.173 -1.193 . . . . 1.57 109.408 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.44 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 16.5 ttp180 -62.25 -52.1 65.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 2.34 109.207 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -87.29 -9.71 54.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.731 -0.606 . . . . 1.39 110.343 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' C ' ' H ' ' A' ' 88' ' ' ASP . 19.2 t80 -72.67 2.23 6.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.013 -1.054 . . . . 1.27 111.291 -177.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 40.5 m-85 -78.11 20.95 0.35 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.354 -1.466 . . . . 1.65 108.002 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' A' ' 86' ' ' TYR . 97.9 m-20 -68.14 -39.9 82.58 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.354 -0.98 . . . . 2.74 108.354 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -103.99 141.34 36.36 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.717 -1.586 . . . . 2.52 106.717 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -76.44 91.13 3.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.77 -1.206 . . . . 2.8 108.526 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.649 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.7 tp -137.42 -62.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.972 -0.455 . . . . 1.28 110.758 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.857 HD12 HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -113.54 124.77 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.136 -0.977 . . . . 1.09 112.283 -178.644 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -115.77 131.57 56.9 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.852 -0.795 . . . . 1.79 108.852 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -68.71 142.67 54.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.707 -0.62 . . . . 2.83 110.284 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 97' ' ' GLY . 91.2 m -91.73 135.65 33.74 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.309 -0.87 . . . . 1.24 110.374 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.52 30.55 0.29 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 2.47 108.922 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -77.8 -90.33 0.33 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.441 -1.464 . . . . 2.32 109.441 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -114.26 -123.62 0.29 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.313 -1.11 . . . . 3.6 109.727 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -116.17 -29.51 6.25 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.088 -1.007 . . . . 5.66 111.529 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -106.97 17.54 22.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.997 -1.065 . . . . 1.27 112.239 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.62 128.91 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 120.529 -1.357 . . . . 1.14 111.469 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -119.55 160.01 23.24 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.54 -1.281 . . . . 1.23 107.54 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -146.71 142.78 28.18 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.082 -1.011 . . . . 2.9 108.893 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.46 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 29.0 m-85 -118.0 136.27 53.63 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.685 -0.858 . . . . 1.16 108.685 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.975 -1.012 . . . . 1.98 109.95 -178.078 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.801 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.138 0 O4'-C1'-N19 110.692 3.615 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.893 1 O4'-C1'-N19 111.579 4.723 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.43 H2'' " O5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.928 3.91 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.43 " O5'" H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.111 0 O4'-C1'-N19 110.699 3.623 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.539 ' C2 ' ' N3 ' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.076 1 O4'-C1'-N19 112.137 5.421 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.539 ' N3 ' ' C2 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.546 4.407 0 C3'-C2'-C1' 106.849 2.964 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.672 H2'' " O5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.309 1 O4'-C1'-N19 111.828 5.035 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.672 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.788 1 O4'-C1'-N19 111.708 4.885 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.851 3.813 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O4'-C1'-N19 110.961 3.951 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.409 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.991 1 O4'-C1'-N19 111.019 4.023 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.409 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.073 1 O4'-C1'-N19 112.435 5.794 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 1 O4'-C1'-N19 112.094 5.368 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.311 1 O4'-C1'-N19 111.139 4.173 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.512 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 P--O5' 1.616 2.32 0 O4'-C1'-N19 110.199 2.999 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.416 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O4'-C1'-N19 110.881 3.851 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.824 1 O4'-C1'-N19 111.425 4.532 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.812 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.207 4.258 . . . . 2.42 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.82 0 O4'-C1'-N19 110.254 3.068 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.755 3.694 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 112.005 5.257 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.827 3.784 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.673 4.842 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.439 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.163 0 C3'-C2'-C1' 106.959 3.042 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.439 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.526 4.658 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.433 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.236 4.295 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.516 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.438 0 O4'-C1'-N19 110.774 3.718 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.516 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 111.313 4.392 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 112.253 5.567 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.539 0 O4'-C1'-N19 110.854 3.818 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.106 1 O4'-C1'-N19 111.687 4.858 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.459 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.043 0 O4'-C1'-N19 110.22 3.025 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.58 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.015 4.019 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.58 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 111.03 4.038 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 11' ' ' ILE . 90.3 t . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.424 -0.584 . . . . 3.34 109.424 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.681 ' H ' ' CD ' ' A' ' 12' ' ' PRO . 6.5 mm -114.22 -26.09 0.11 Allowed Pre-proline 0 N--CA 1.495 1.789 0 CA-C-O 117.842 -1.075 . . . . 3.52 112.364 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.681 ' CD ' ' H ' ' A' ' 11' ' ' ILE . 10.7 Cg_exo -58.35 62.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.818 0 CA-C-N 119.922 1.008 . . . . 3.56 110.851 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 11' ' ' ILE . . . -100.91 161.76 13.37 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.889 -1.132 . . . . 2.93 110.48 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -18.06 29.76 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.706 -1.22 . . . . 3.29 107.706 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' CB ' ' OD2' ' A' ' 37' ' ' ASP . . . -84.58 -4.7 59.12 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.99 -0.744 . . . . 2.93 108.99 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 tp -74.86 -73.75 0.23 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.225 -1.398 . . . . 3.23 107.225 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 19' ' ' TYR . . . -95.45 -126.64 0.13 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.927 -1.509 . . . . 3.32 106.927 177.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' THR . . . 60.55 -65.97 0.01 OUTLIER Glycine 0 N--CA 1.499 2.892 0 N-CA-C 110.545 -1.022 . . . . 3.34 110.545 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.592 ' N ' ' O ' ' A' ' 17' ' ' ALA . 65.7 t80 -70.14 54.36 0.14 Allowed 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.258 -1.143 . . . . 3.66 109.904 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' GLY . 68.3 m -110.07 -15.48 14.02 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.778 0.799 . . . . 4.79 108.845 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.99 0.3 23.16 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 111.24 -0.744 . . . . 5.2 111.24 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.9 m -110.87 19.63 18.36 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.387 -1.066 . . . . 4.83 109.38 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.86 -177.4 43.25 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.125 -1.59 . . . . 3.71 109.125 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -52.05 137.64 53.47 Favored 'Trans proline' 0 C--N 1.316 -1.182 0 N-CA-C 108.028 -1.566 . . . . 3.25 108.028 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 pt -74.46 155.99 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 120.939 -1.1 . . . . 2.8 110.311 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.555 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 9.2 tm0? -85.31 156.56 20.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.76 . . . . 1.66 109.639 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.8 tm? -61.38 -54.32 45.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.391 -0.818 . . . . 1.54 111.765 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.555 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.9 p-90 -78.88 -37.9 38.98 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.526 -1.359 . . . . 1.16 112.357 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -55.78 -37.73 68.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.526 -1.657 . . . . 2.34 106.526 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -67.26 -55.62 13.23 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.605 0.717 . . . . 0.86 109.153 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.62 -44.57 90.11 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.505 -0.747 . . . . 1.52 110.233 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.12 -48.91 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.823 -1.173 . . . . 1.91 110.24 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 87.4 tt0 -61.44 -43.77 98.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.854 -1.153 . . . . 2.46 108.553 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.27 -30.06 70.89 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.666 0.746 . . . . 1.54 109.053 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.604 HD11 ' CG ' ' A' ' 53' ' ' PHE . 9.4 tp -54.53 -46.81 73.64 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.529 -0.732 . . . . 1.45 109.59 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 p -99.93 48.68 0.93 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.193 -0.942 . . . . 1.68 110.295 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 33' ' ' GLU . 77.5 m-20 -132.21 -114.69 0.23 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.399 -0.813 . . . . 3.08 110.161 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.531 ' CE ' ' H ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -57.8 143.89 40.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.78 -1.193 . . . . 3.33 107.78 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.531 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 66.2 m -67.63 -43.48 80.24 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.389 -1.444 . . . . 2.66 111.318 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 10' ' ' VAL . 84.7 m 51.49 16.21 0.41 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.177 -0.952 . . . . 2.22 109.164 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 44' ' ' ILE . 39.0 tt0 -59.93 -37.03 78.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.581 -0.699 . . . . 3.09 111.91 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -73.97 -10.49 59.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.329 -1.482 . . . . 2.41 110.074 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -122.87 7.7 9.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.993 -1.114 . . . . 1.56 107.993 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.707 HD11 HD23 ' A' ' 55' ' ' LEU . 1.6 tt -165.93 176.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.384 -0.969 . . . . 1.14 108.384 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t -115.04 116.29 28.21 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.921 -1.112 . . . . 1.71 110.49 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.51 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.37 101.53 9.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.137 -1.431 . . . . 1.46 107.137 179.007 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 p -67.69 152.26 45.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.637 -1.289 . . . . 2.04 108.802 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 37.8 3.61 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.035 -1.626 . . . . 1.95 109.035 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -116.39 -105.46 0.4 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.537 -0.978 . . . . 3.56 109.482 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.56 -106.24 0.61 Allowed Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.261 -1.535 . . . . 1.32 109.261 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.558 ' HE1' ' CD2' ' A' ' 35' ' ' LEU . 4.2 t-105 -140.11 69.48 1.36 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.255 -1.144 . . . . 1.06 109.148 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -113.09 121.96 46.12 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.32 -0.863 . . . . 2.5 109.039 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.604 ' CG ' HD11 ' A' ' 35' ' ' LEU . 58.7 t80 -130.6 135.07 47.52 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.333 -0.854 . . . . 0.82 109.312 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -129.59 130.41 45.64 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.2 -0.937 . . . . 2.34 110.378 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 44' ' ' ILE . 4.5 mt -87.56 73.39 9.46 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.145 -1.057 . . . . 1.3 108.145 178.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.6 p -76.37 -46.45 27.35 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.528 -0.733 . . . . 1.6 112.269 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -135.27 68.77 68.98 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.805 -1.185 . . . . 2.54 111.684 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -75.11 67.42 6.02 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 121.694 1.596 . . . . 1.09 109.279 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.05 -49.8 47.57 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.598 -1.314 . . . . 2.89 109.463 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -85.57 -33.95 21.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 3.15 109.288 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.15 -48.35 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.221 -0.925 . . . . 0.8 110.241 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.25 91.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 0.84 109.88 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -62.0 -42.52 99.24 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.788 -1.195 . . . . 3.69 109.678 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -69.78 -40.03 76.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.917 -1.115 . . . . 3.46 110.12 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.504 ' CE2' HD21 ' A' ' 79' ' ' LEU . 11.9 t-105 -53.84 -39.35 65.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.287 -0.883 . . . . 1.08 109.35 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.36 -29.47 30.3 Favored Glycine 0 N--CA 1.488 2.122 0 O-C-N 120.919 -1.113 . . . . 1.09 110.69 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -66.77 -34.27 77.45 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.025 -1.28 . . . . 2.71 111.169 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 7.4 mpt_? -61.26 -20.61 63.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.431 -1.418 . . . . 3.88 110.142 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.85 8.11 40.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.96 -1.088 . . . . 2.56 108.368 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 60.73 23.51 13.4 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-O 121.152 0.501 . . . . 3.49 110.529 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.9 mptp? -98.16 160.5 28.14 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.092 -1.077 . . . . 2.35 108.092 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -59.17 -148.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.13 1.22 . . . . 2.96 109.674 178.8 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -92.0 131.97 36.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.596 -1.315 . . . . 5.24 108.554 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.0 mmt -125.33 144.29 50.56 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.624 0.726 . . . . 2.41 110.276 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -66.92 171.35 5.49 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.415 1.103 . . . . 1.48 111.669 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.53 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 52.1 t80 -70.03 -12.38 61.57 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.619 -0.882 . . . . 1.07 108.619 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -60.05 -32.24 70.73 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.347 -0.846 . . . . 2.53 110.783 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.459 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 21.8 pttp -59.38 -33.35 71.09 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.015 -1.053 . . . . 4.23 108.871 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 65' ' ' TRP . 17.5 mt -67.58 -40.7 84.85 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.53 -0.915 . . . . 1.17 108.53 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -65.5 -41.16 93.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.088 -1.008 . . . . 1.39 109.059 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.514 HH11 ' H41' ' C' ' 27' ' ' ' DC' . 86.9 mtm180 -72.27 -36.06 68.92 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.183 -0.948 . . . . 4.74 110.68 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.14 -46.86 2.74 Favored Glycine 0 N--CA 1.503 3.105 0 C-N-CA 120.015 -1.088 . . . . 0.8 111.771 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.549 HD11 HD12 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -60.61 -43.11 97.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.709 -1.466 . . . . 1.57 108.331 -179.422 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -55.14 -47.29 75.27 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.652 -1.28 . . . . 2.34 110.1 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 89.8 t80 -64.36 -8.91 14.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.969 -1.082 . . . . 1.39 109.41 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.537 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.5 t80 -76.99 10.52 2.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 1.27 110.72 -177.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -76.25 13.38 0.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.704 -1.247 . . . . 1.65 109.237 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.92 -37.55 72.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 2.74 108.879 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.436 ' O ' HG22 ' A' ' 91' ' ' ILE . 9.3 mtpm? -111.86 140.14 46.76 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.718 -1.215 . . . . 2.52 107.718 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 7.8 p30 -76.76 96.16 4.18 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.243 -1.383 . . . . 2.8 108.288 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.936 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.0 OUTLIER -137.89 -87.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.856 -0.527 . . . . 1.28 109.649 -178.693 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.936 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -96.12 142.9 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.631 -1.293 . . . . 1.09 109.441 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' N ' HD13 ' A' ' 92' ' ' ILE . 6.5 m-70 -131.65 150.17 52.24 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.294 -0.879 . . . . 1.79 109.266 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' NZ ' ' OP2' ' B' ' 7' ' ' ' DC' . 54.4 mtmt -102.12 133.45 46.94 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.789 0.804 . . . . 2.83 108.92 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.528 ' OG1' ' NE ' ' A' ' 103' ' ' ARG . 99.8 m -89.13 141.22 28.69 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 121.336 -0.852 . . . . 1.24 110.09 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.07 56.71 3.84 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.395 -1.441 . . . . 2.47 107.787 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.435 ' H ' HG21 ' A' ' 101' ' ' VAL . . . -81.61 -100.9 0.39 Allowed Glycine 0 N--CA 1.492 2.42 0 C-N-CA 120.165 -1.017 . . . . 2.32 111.031 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -106.96 -43.62 4.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.518 -0.989 . . . . 3.6 110.211 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -171.79 -64.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.09 -1.044 . . . . 5.66 111.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.415 ' CE1' ' OP1' ' B' ' 6' ' ' ' DC' . 98.1 m-85 -104.38 40.16 1.53 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.635 -0.666 . . . . 1.27 111.03 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.435 HG21 ' H ' ' A' ' 97' ' ' GLY . 5.5 m -88.06 125.02 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.561 -1.337 . . . . 1.14 109.434 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.53 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 48.6 m-85 -118.75 150.03 40.48 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.145 -0.972 . . . . 1.23 109.225 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.528 ' NE ' ' OG1' ' A' ' 95' ' ' THR . 38.6 mtm180 -149.42 153.66 37.68 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.1 -0.704 . . . . 2.9 109.1 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 104' ' ' PHE . 23.5 m-85 -126.08 163.38 23.21 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.168 -0.679 . . . . 1.16 109.168 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.313 -0.851 . . . . 1.98 109.588 -179.816 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.887 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.843 0 O4'-C1'-N19 110.846 3.808 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.442 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.084 1 O4'-C1'-N19 111.399 4.498 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.448 0 O4'-C1'-N19 110.951 3.939 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.428 1 O4'-C1'-N19 111.499 4.624 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.594 3.492 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.544 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.986 3.982 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.544 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.143 1 O4'-C1'-N19 111.96 5.2 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.432 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.202 1 O4'-C1'-N19 111.651 4.814 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.529 H2'' " O5'" ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.419 1 O4'-C1'-N19 112.401 5.751 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.529 " O5'" H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.082 1 O4'-C1'-N19 111.729 4.911 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 1 O4'-C1'-N19 111.347 4.434 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.635 1 O4'-C1'-N19 112.171 5.464 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.544 1 O4'-C1'-N19 111.207 4.259 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 111.197 4.246 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.431 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.117 4.146 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.841 3.801 . . . . 1.74 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.941 3.926 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.999 3.999 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.431 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.403 0 O4'-C1'-N19 110.232 3.039 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.53 3.412 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 112.325 5.656 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.238 4.298 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.857 5.071 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C1'-N19 110.92 3.9 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 112.196 5.495 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.513 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.044 4.054 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.513 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.729 3.662 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.405 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.251 4.314 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.577 1 O4'-C1'-N19 111.43 4.537 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.426 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.34 0 O4'-C1'-N19 110.741 3.676 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.426 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.147 1 O4'-C1'-N19 111.285 4.356 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.428 0 O4'-C1'-N19 110.439 3.299 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.535 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.093 1 O4'-C1'-N19 111.223 4.279 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.535 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.088 4.11 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.907 -0.775 . . . . 3.34 108.907 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.691 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 1.6 pp -130.2 27.27 0.13 Allowed Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.322 -0.862 . . . . 3.52 111.578 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 17.9 Cg_endo -67.81 -1.8 7.47 Favored 'Trans proline' 0 C--O 1.209 -0.956 0 N-CA-C 108.881 -1.238 . . . . 3.56 108.881 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.02 -58.84 1.93 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.624 -0.672 . . . . 2.93 110.367 -178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.07 76.4 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.455 -0.778 . . . . 3.29 110.957 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.59 -25.1 31.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.134 -0.979 . . . . 2.93 111.806 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 12' ' ' PRO . 69.0 mt -82.58 -11.18 58.61 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.279 -1.513 . . . . 3.23 108.202 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' TYR . . . -82.66 -141.58 0.05 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.848 -1.908 . . . . 3.32 105.848 176.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . 44.9 23.11 0.54 Allowed Glycine 0 N--CA 1.494 2.509 0 C-N-CA 119.291 -1.433 . . . . 3.34 109.605 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.499 ' CE2' HG22 ' A' ' 25' ' ' ILE . 1.6 t80 -64.4 154.9 34.15 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.573 -0.957 . . . . 3.66 109.069 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 p -83.56 169.5 15.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 4.79 109.86 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.59 56.01 0.93 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.599 -1.0 . . . . 5.2 110.599 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m -105.67 22.22 15.89 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.305 -1.115 . . . . 4.83 108.456 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.57 165.45 40.95 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.382 -1.487 . . . . 3.71 109.382 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.02 148.4 39.18 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.475 1.45 . . . . 3.25 109.392 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.509 HD12 ' HB2' ' A' ' 30' ' ' PHE . 17.3 pt -69.51 151.42 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.841 -1.162 . . . . 2.8 109.692 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.591 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.6 tm0? -87.7 152.06 22.44 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.463 -0.773 . . . . 1.66 108.979 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.685 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.5 tt -52.17 -53.76 39.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.339 -0.851 . . . . 1.54 112.085 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.1 p-90 -77.15 -30.58 55.12 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.202 -1.561 . . . . 1.16 110.259 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -58.18 -43.6 87.57 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.333 -1.358 . . . . 2.34 107.333 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.509 ' HB2' HD12 ' A' ' 25' ' ' ILE . 40.1 t80 -68.31 -49.22 61.91 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.389 0.614 . . . . 0.86 110.082 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.94 -35.35 80.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.884 -1.135 . . . . 1.52 109.577 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.34 -48.43 70.27 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.831 -1.168 . . . . 1.91 110.563 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -66.81 -37.99 85.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 119.975 -1.703 . . . . 2.46 108.578 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.662 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.5 tm? -64.78 -39.35 93.45 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.82 0.819 . . . . 1.54 108.968 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' A' ' 53' ' ' PHE . 55.2 tp -48.58 -43.39 35.8 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.734 -0.604 . . . . 1.45 109.491 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -123.02 69.77 1.0 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.595 -0.691 . . . . 1.68 110.07 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -126.34 -80.61 0.61 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.349 -0.845 . . . . 3.08 110.342 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' H ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -73.96 -167.31 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.244 -0.91 . . . . 3.33 110.23 -178.834 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 47.2 t -61.24 -37.32 82.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.914 -1.117 . . . . 2.66 110.665 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 79.99 -50.48 0.37 Allowed 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.701 0.762 . . . . 2.22 109.398 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.84 -32.58 60.7 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.412 -0.805 . . . . 3.09 111.066 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -27.08 60.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.754 -1.217 . . . . 2.41 111.477 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.06 -7.21 7.75 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 121.131 -0.981 . . . . 1.56 111.305 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt -162.78 -168.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.766 -1.209 . . . . 1.14 108.621 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 44' ' ' ILE . 6.3 m -139.89 128.96 23.64 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.535 -1.353 . . . . 1.71 111.353 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -110.86 126.35 54.58 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.755 -1.202 . . . . 1.46 107.755 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 48' ' ' GLY . 2.1 t -53.53 -170.52 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.724 -1.235 . . . . 2.04 110.498 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 47' ' ' THR . . . -58.38 -120.24 0.01 OUTLIER Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.611 -0.996 . . . . 1.95 110.611 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -108.49 12.91 25.79 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.528 -0.983 . . . . 3.56 111.579 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 -115.75 0.57 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.669 -1.372 . . . . 1.32 109.669 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.466 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 50.9 t-105 -163.77 33.71 0.08 Allowed 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.187 -1.184 . . . . 1.06 109.91 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -100.22 131.2 46.3 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 106.311 -1.737 . . . . 2.5 106.311 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.454 ' HZ ' HD13 ' A' ' 44' ' ' ILE . 49.8 t80 -120.12 137.05 54.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.487 -0.758 . . . . 0.82 111.308 -177.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.67 139.89 51.28 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.551 0.691 . . . . 2.34 109.205 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.529 ' HG ' HD11 ' A' ' 44' ' ' ILE . 9.2 mp -91.93 100.98 13.55 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.295 -0.878 . . . . 1.3 110.379 -178.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 58.5 m -74.7 -55.4 5.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.453 -1.404 . . . . 1.6 108.863 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 56' ' ' SER . 98.7 m-20 -138.37 81.78 24.55 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.364 -0.835 . . . . 2.54 110.453 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -74.85 28.32 0.36 Allowed 'Trans proline' 0 N--CA 1.484 0.944 0 C-N-CA 121.747 1.631 . . . . 1.09 110.836 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -70.15 -38.33 75.47 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.723 -1.235 . . . . 2.89 109.423 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -73.72 -38.91 64.66 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.439 -0.788 . . . . 3.15 108.947 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.565 HG22 ' NH2' ' A' ' 64' ' ' ARG . 60.3 t -65.24 -48.16 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.267 -0.896 . . . . 0.8 109.4 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.42 86.64 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.134 -1.061 . . . . 0.84 108.134 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -62.76 -44.67 95.58 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.596 0.713 . . . . 3.69 109.226 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.565 ' NH2' HG22 ' A' ' 61' ' ' VAL . 88.5 mtm180 -74.06 -34.78 64.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 3.46 109.749 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.87 -42.55 80.0 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.839 -0.801 . . . . 1.08 108.839 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.05 -16.26 67.8 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.412 -1.075 . . . . 1.09 110.412 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -61.94 -41.14 97.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.774 -1.427 . . . . 2.71 109.669 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -60.48 -36.26 77.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.162 -0.961 . . . . 3.88 109.404 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -91.9 14.09 16.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.42 -0.8 . . . . 2.56 110.421 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 m120 57.24 46.42 18.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.216 -0.927 . . . . 3.49 109.778 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HB2' ' HZ2' ' A' ' 71' ' ' LYS . 9.7 mtmp? -147.24 70.75 11.93 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 2.35 109.338 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -58.16 -8.97 5.55 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 121.407 1.405 . . . . 2.96 110.122 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -99.5 29.12 4.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.395 -0.816 . . . . 5.24 109.02 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.416 ' CE ' ' HZ1' ' A' ' 71' ' ' LYS . 20.9 tpp -68.93 113.52 6.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.061 -1.025 . . . . 2.41 109.03 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.655 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 10.6 t-20 -69.2 151.32 46.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.366 -0.834 . . . . 1.48 110.021 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.471 ' CE1' ' OP1' ' B' ' 6' ' ' ' DC' . 25.9 t80 -67.23 -25.93 66.34 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.366 -0.834 . . . . 1.07 110.503 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.655 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 34.3 tt0 -58.72 -37.6 76.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.501 -1.375 . . . . 2.53 108.939 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.477 ' N ' ' CD ' ' A' ' 78' ' ' LYS . 11.2 mptt -54.76 -35.67 64.02 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.812 -1.155 . . . . 4.23 107.889 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.26 -31.85 68.0 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.577 -0.898 . . . . 1.17 108.577 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.6 m -57.25 -46.16 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.956 -1.09 . . . . 1.39 108.912 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.51 ' NE ' ' O6 ' ' B' ' 9' ' ' ' DG' . 16.5 ttt-85 -85.96 -37.83 18.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.276 -0.89 . . . . 4.74 109.706 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.55 -46.6 94.08 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.58 -1.408 . . . . 0.8 109.58 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -39.28 69.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -1.115 . . . . 1.57 108.688 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.472 HH11 ' HB3' ' A' ' 84' ' ' ARG . 1.3 ttt-85 -59.59 -43.51 93.65 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.77 -1.206 . . . . 2.34 110.154 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -72.98 -17.14 61.49 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.137 -0.977 . . . . 1.39 109.236 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.499 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 9.3 t80 -75.07 9.86 1.77 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.524 -0.735 . . . . 1.27 111.817 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.4 m-85 -85.31 23.4 1.31 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.774 -1.204 . . . . 1.65 109.316 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.08 -35.75 66.69 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.74 108.091 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 91' ' ' ILE . 9.9 mtpm? -110.3 145.43 37.45 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.734 -1.58 . . . . 2.52 106.734 178.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -77.82 96.6 4.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.918 -1.114 . . . . 2.8 108.086 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.904 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -138.69 -89.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 108.638 -0.875 . . . . 1.28 108.638 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.904 ' H ' HG23 ' A' ' 91' ' ' ILE . 5.9 tt -93.83 129.66 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 120.589 -1.319 . . . . 1.09 110.962 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -121.39 137.7 54.59 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.187 -0.672 . . . . 1.79 109.187 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.582 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 23.7 pttm -69.69 139.85 53.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.785 -1.197 . . . . 2.83 109.753 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.5 m -92.64 137.55 32.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.399 -0.813 . . . . 1.24 110.271 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.16 31.53 0.5 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 2.47 109.561 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.82 -79.13 0.75 Allowed Glycine 0 N--CA 1.49 2.258 0 C-N-CA 119.713 -1.232 . . . . 2.32 110.049 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -108.11 -81.7 0.56 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.333 -1.098 . . . . 3.6 109.263 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -170.51 -40.1 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.781 -1.199 . . . . 5.66 109.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -99.88 21.26 12.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.318 -0.864 . . . . 1.27 108.702 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 101' ' ' VAL . 11.9 m -92.98 133.98 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.124 -0.985 . . . . 1.14 111.399 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -121.89 158.04 29.86 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.035 -1.098 . . . . 1.23 108.035 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -147.69 158.5 44.04 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.912 -1.144 . . . . 2.9 107.912 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.709 ' CE2' HD12 ' A' ' 92' ' ' ILE . 83.2 m-85 -128.66 158.5 38.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.251 -0.905 . . . . 1.16 109.554 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 118.192 -0.908 . . . . 1.98 108.722 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.855 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.139 4.174 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.458 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.993 3.992 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-N19 111.36 4.451 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.745 1 O4'-C1'-N19 111.204 4.255 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 111.778 4.972 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.58 ' C2 ' ' C2 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.745 3.681 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.591 ' H41' ' HE ' ' A' ' 81' ' ' ARG . . . . . . . . 1 C5'--C4' 1.547 4.475 1 O4'-C1'-N19 111.82 5.025 . . . . 1.38 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.631 3.538 . . . . 1.16 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.584 4.73 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 1 O4'-C1'-N19 111.418 4.523 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.444 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.71 4.887 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.444 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.382 4.478 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 111.184 4.23 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.415 4.519 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.404 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.98 0 O4'-C1'-N19 110.488 3.36 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.404 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 111.046 4.057 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 111.565 4.707 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.214 4.268 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.474 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.542 0 C3'-C2'-C1' 107.058 3.113 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 0 O4'-C1'-N19 110.998 3.998 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.503 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.524 1 O4'-C1'-N19 111.628 4.785 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.503 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.03 0 O4'-C1'-N19 110.832 3.791 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.964 5.205 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.597 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.737 0 C3'-C2'-C1' 107.106 3.147 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.597 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 111.47 4.588 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.411 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.413 1 O4'-C1'-N19 111.043 4.054 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.411 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.161 0 O4'-C1'-N19 110.554 3.442 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.022 1 O4'-C1'-N19 111.146 4.183 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.243 4.304 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.551 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.031 1 O4'-C1'-N19 111.425 4.532 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.551 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.451 1 O4'-C1'-N19 111.464 4.58 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.337 3.172 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.463 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.019 1 O4'-C1'-N19 111.271 4.338 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.463 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.375 0 O4'-C1'-N19 110.605 3.506 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 10' ' ' VAL . 14.5 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.414 0.626 . . . . 3.34 109.453 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.593 ' O ' HG23 ' A' ' 11' ' ' ILE . 10.6 tp -136.06 63.43 50.63 Favored Pre-proline 0 N--CA 1.495 1.816 0 O-C-N 120.976 -1.078 . . . . 3.52 109.605 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 12.3 Cg_endo -71.44 -0.83 8.77 Favored 'Trans proline' 0 C--O 1.208 -1.013 0 N-CA-C 108.295 -1.463 . . . . 3.56 108.295 178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.49 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.326 0.584 . . . . 2.93 111.308 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.523 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . . . -63.67 -25.27 68.13 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 3.29 110.777 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.91 -33.25 30.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.876 -1.14 . . . . 2.93 109.893 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' PRO . 55.8 tp -78.18 -39.86 39.47 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.176 -0.952 . . . . 3.23 108.438 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.4 -149.52 0.19 Allowed 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.056 -0.72 . . . . 3.32 109.056 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.52 8.67 76.66 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.631 -1.788 . . . . 3.34 108.631 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 27.8 p90 -71.48 133.04 45.57 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.641 -0.917 . . . . 3.66 109.454 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 20' ' ' THR . 89.4 m -125.88 -6.02 6.8 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.571 -0.705 . . . . 4.79 110.344 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.4 -7.82 87.77 Favored Glycine 0 N--CA 1.499 2.858 0 C-N-CA 119.704 -1.236 . . . . 5.2 110.776 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.3 m -103.87 18.34 22.18 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.364 -1.08 . . . . 4.83 109.626 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 -173.09 38.95 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 110.085 -1.206 . . . . 3.71 110.085 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -54.36 142.15 69.95 Favored 'Trans proline' 0 C--N 1.322 -0.837 0 C-N-CA 121.681 1.587 . . . . 3.25 109.881 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 tt -75.93 141.29 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.18 -0.95 . . . . 2.8 110.421 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.64 127.75 36.39 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.203 -0.936 . . . . 1.66 109.026 179.137 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD13 ' C ' ' A' ' 27' ' ' LEU . 1.4 tm? -53.75 -59.28 4.82 Favored 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 113.01 0.744 . . . . 1.54 113.01 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 51.7 p-90 -68.23 -34.27 75.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.546 -1.347 . . . . 1.16 110.903 -178.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.464 ' H ' ' HG3' ' A' ' 26' ' ' GLN . 53.9 tt0 -59.97 -43.81 94.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.613 -1.304 . . . . 2.34 107.906 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -67.0 -48.82 67.25 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.881 -0.512 . . . . 0.86 110.055 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.26 -49.23 78.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.268 -0.895 . . . . 1.52 109.393 -178.535 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -66.29 -32.96 74.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 1.91 109.235 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.89 -41.08 90.82 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.571 -1.27 . . . . 2.46 107.571 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.81 -36.18 78.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 1.54 109.357 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' CB ' ' HE1' ' A' ' 46' ' ' TRP . 7.5 mp -65.72 -25.24 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.012 -1.055 . . . . 1.45 109.279 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.8 p -121.6 62.58 0.92 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.246 -0.909 . . . . 1.68 110.757 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -132.57 -74.34 0.5 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.275 -1.009 . . . . 3.08 108.275 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.585 ' H ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -118.0 -163.52 0.95 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.723 -0.61 . . . . 3.33 109.41 179.332 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.55 ' C ' ' H ' ' A' ' 41' ' ' GLN . 73.6 m -70.54 -47.06 62.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.053 . . . . 2.66 110.528 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 44' ' ' ILE . 6.8 t 57.6 0.36 0.1 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.113 -0.992 . . . . 2.22 108.786 -178.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.55 ' H ' ' C ' ' A' ' 39' ' ' SER . 1.5 tm0? -60.67 -39.99 90.46 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.155 -0.966 . . . . 3.09 109.839 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -77.93 -11.9 59.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.638 -0.664 . . . . 2.41 109.537 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -111.78 -12.83 13.79 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.728 -0.607 . . . . 1.56 110.068 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.592 HG22 ' SG ' ' A' ' 40' ' ' CYS . 9.3 tt -165.65 -176.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.863 -1.148 . . . . 1.14 108.227 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -114.24 107.76 16.03 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.017 -1.052 . . . . 1.71 110.682 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.48 ' HE1' ' CB ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.58 112.72 25.83 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 106.967 -1.494 . . . . 1.46 106.967 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.828 HG21 ' H ' ' A' ' 52' ' ' GLU . 11.2 t -49.53 -173.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.814 0.816 . . . . 2.04 111.413 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.3 -108.29 0.06 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.57 -1.012 . . . . 1.95 110.57 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.19 12.38 24.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.404 -1.056 . . . . 3.56 111.036 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.75 -116.93 0.9 Allowed Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.861 -2.096 . . . . 1.32 107.861 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.46 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 27.7 t-105 -170.31 37.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -1.104 . . . . 1.06 109.686 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.828 ' H ' HG21 ' A' ' 47' ' ' THR . 79.9 mm-40 -96.42 104.68 16.67 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.923 -1.51 . . . . 2.5 106.923 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 40.2 t80 -98.98 119.18 37.33 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.599 -0.688 . . . . 0.82 109.71 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -116.61 134.99 54.18 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.558 0.694 . . . . 2.34 109.575 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HG ' HD11 ' A' ' 44' ' ' ILE . 10.5 mp -90.4 104.49 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.415 -0.803 . . . . 1.3 110.42 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.3 m -76.47 -68.32 0.6 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.265 -0.897 . . . . 1.6 108.871 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' ASP . 65.2 t0 -146.58 75.31 12.3 Favored Pre-proline 0 N--CA 1.5 2.042 0 O-C-N 120.936 -1.103 . . . . 2.54 110.909 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.55 55.75 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.371 1.381 . . . . 1.09 109.492 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 37.2 p-10 -71.39 -37.15 71.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.794 -1.191 . . . . 2.89 110.229 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 79.4 mm-40 -84.91 -34.4 22.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.961 -1.087 . . . . 3.15 109.443 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.32 -43.89 94.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.32 -0.862 . . . . 0.8 109.46 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.63 87.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.303 -0.873 . . . . 0.84 109.259 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -59.6 -44.23 93.47 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.464 -0.939 . . . . 3.69 108.464 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.523 ' NH1' ' HB2' ' A' ' 14' ' ' ALA . 21.7 ttm-85 -67.13 -33.31 75.16 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.829 -0.804 . . . . 3.46 108.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CD1' HD21 ' A' ' 79' ' ' LEU . 6.9 t-105 -59.82 -43.2 94.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.518 -0.739 . . . . 1.08 109.089 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.33 -25.43 28.48 Favored Glycine 0 N--CA 1.496 2.665 0 C-N-CA 120.464 -0.874 . . . . 1.09 111.113 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -63.41 -41.52 98.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.869 -1.371 . . . . 2.71 109.589 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.53 -23.23 62.66 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.225 -0.922 . . . . 3.88 108.644 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -90.81 4.6 51.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.494 -0.754 . . . . 2.56 109.752 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.86 55.27 7.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.908 . . . . 3.49 110.227 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -127.95 150.06 72.53 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.271 -1.011 . . . . 2.35 108.271 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -48.72 -79.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.112 1.208 . . . . 2.96 110.403 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -134.69 149.33 50.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.201 -0.937 . . . . 5.24 109.9 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 ttm -126.26 115.29 19.48 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.374 -0.602 . . . . 2.41 109.374 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -71.07 159.81 34.04 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 1.48 109.34 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.543 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 57.9 t80 -66.71 -20.53 65.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.689 -0.856 . . . . 1.07 108.689 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.904 -1.122 . . . . 2.53 110.401 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -59.35 -35.33 73.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 4.23 109.067 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 65' ' ' TRP . 1.3 mm? -63.24 -41.2 99.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.604 -0.888 . . . . 1.17 108.604 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.3 m -59.19 -43.25 92.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.039 -1.038 . . . . 1.39 109.996 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.591 ' HE ' ' H41' ' B' ' 7' ' ' ' DC' . 1.0 OUTLIER -67.57 -40.08 84.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.728 -1.233 . . . . 4.74 110.113 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.53 -45.75 6.35 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.01 -1.091 . . . . 0.8 110.742 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -63.77 -43.96 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.213 -1.169 . . . . 1.57 108.869 -179.328 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -58.8 -44.29 90.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 2.34 109.822 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 55.0 t80 -76.38 -10.99 59.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.1 -1.0 . . . . 1.39 109.129 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 31.6 t80 -72.28 3.05 5.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.248 -0.907 . . . . 1.27 111.53 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.8 m-85 -75.96 66.99 2.26 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.629 -1.294 . . . . 1.65 108.112 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.91 -55.78 5.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.241 -0.912 . . . . 2.74 110.758 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.564 ' CG ' ' H ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -117.14 -90.39 0.56 Allowed 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.671 0.748 . . . . 2.52 109.302 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.564 ' H ' ' CG ' ' A' ' 89' ' ' LYS . 76.9 m-20 -158.72 90.36 1.0 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.119 -0.697 . . . . 2.8 109.119 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.982 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -136.56 -89.38 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.89 . . . . 1.28 111.345 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.982 ' H ' HG23 ' A' ' 91' ' ' ILE . 6.7 tt -96.83 127.45 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.873 -1.142 . . . . 1.09 109.24 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -120.06 159.97 23.73 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.644 0.735 . . . . 1.79 109.39 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.536 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 21.8 pttp -97.04 140.0 32.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.471 -0.768 . . . . 2.83 109.916 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 97' ' ' GLY . 85.5 m -90.97 133.8 34.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.444 -0.785 . . . . 1.24 109.52 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.53 18.6 0.55 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 2.47 110.473 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.592 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.25 -81.68 0.6 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.55 -1.42 . . . . 2.32 109.55 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.0 tttm -105.96 -161.83 0.83 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.287 -1.125 . . . . 3.6 108.815 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.423 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 97.9 mtt180 -98.07 -23.85 15.58 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.042 -1.036 . . . . 5.66 110.909 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.2 20.28 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.106 -0.996 . . . . 1.27 110.447 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.441 HG21 ' H ' ' A' ' 98' ' ' LYS . 11.5 m -92.34 128.15 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.785 -1.197 . . . . 1.14 111.644 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 52.7 m-85 -125.27 155.79 39.6 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.567 -0.901 . . . . 1.23 108.567 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -150.13 158.93 44.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.912 . . . . 2.9 108.578 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 92' ' ' ILE . 60.2 m-85 -130.82 157.96 41.47 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.446 -0.784 . . . . 1.16 109.793 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.444 HG23 ' OXT' ' A' ' 105' ' ' VAL . 4.9 m . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 118.195 -0.907 . . . . 1.98 109.756 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.874 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.469 1 O4'-C1'-N19 111.47 4.588 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.378 0 O4'-C1'-N19 110.81 3.762 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.586 0 O4'-C1'-N19 110.742 3.678 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.939 1 O4'-C1'-N19 111.403 4.504 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.561 ' C5 ' ' C4 ' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.686 1 O4'-C1'-N19 111.918 5.148 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.561 ' C4 ' ' C5 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 112.062 5.328 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.552 ' N4 ' ' C2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.213 0 O4'-C1'-N19 110.81 3.763 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.426 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.83 3.787 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.483 1 O4'-C1'-N19 111.191 4.239 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.119 4.148 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 1.53 1 O4'-C1'-N19 111.282 4.352 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.761 1 O4'-C1'-N19 112.038 5.298 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.789 1 O4'-C1'-N19 111.085 4.106 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 111.369 4.461 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.865 0 O4'-C1'-N19 110.737 3.671 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 1 O4'-C1'-N19 111.357 4.446 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.057 1 O4'-C1'-N19 111.266 4.332 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 0 O4'-C1'-N19 110.769 3.711 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.416 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.54 3.425 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.409 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.223 4.279 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.553 ' C6 ' ' C6 ' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.036 1 O4'-C1'-N19 111.683 4.854 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.553 ' C6 ' ' C6 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.511 3.388 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.69 1 O4'-C1'-N19 111.603 4.754 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.599 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O4'-C1'-N19 110.6 3.5 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.599 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.462 1 O4'-C1'-N19 111.842 5.052 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 1 O4'-C1'-N19 111.733 4.917 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.553 H2'' " O4'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 C3'-C2'-C1' 106.85 2.964 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.553 " O4'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.848 0 O4'-C1'-N19 110.823 3.779 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.552 ' C2 ' ' N4 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.903 1 O4'-C1'-N19 112.346 5.682 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.551 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.702 0 O4'-C1'-N19 110.68 3.599 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.551 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.634 4.793 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.259 3.073 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.524 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.25 0 O4'-C1'-N19 110.987 3.983 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.524 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.974 3.968 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 10' ' ' VAL . 8.8 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.537 -0.542 . . . . 3.34 109.537 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -138.87 45.51 0.97 Allowed Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.859 -1.151 . . . . 3.52 110.162 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 9.6 Cg_endo -60.55 -10.79 14.71 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 C-N-CA 121.349 1.366 . . . . 3.56 108.831 178.267 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.49 -38.23 63.47 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.25 -0.648 . . . . 2.93 109.25 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -29.79 71.1 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -0.912 . . . . 3.29 109.149 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.57 -27.35 37.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 2.93 110.022 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.581 HD12 ' OE2' ' A' ' 33' ' ' GLU . 4.6 mm? -73.47 -36.47 65.84 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.245 -1.391 . . . . 3.23 107.245 178.716 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.99 166.84 14.2 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.94 -1.133 . . . . 3.32 107.94 177.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.83 -6.83 73.68 Favored Glycine 0 N--CA 1.498 2.807 0 C-N-CA 119.815 -1.183 . . . . 3.34 110.361 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.731 ' CZ ' HG22 ' A' ' 25' ' ' ILE . 28.2 p90 -75.94 124.17 26.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.848 -1.383 . . . . 3.66 109.099 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -123.84 12.05 9.09 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.532 -0.73 . . . . 4.79 109.039 179.337 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.93 -4.97 73.7 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.58 -1.408 . . . . 5.2 109.58 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -118.0 15.67 14.21 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.404 -1.057 . . . . 4.83 109.927 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.1 -170.37 51.0 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.305 -1.518 . . . . 3.71 109.305 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -54.03 140.01 70.27 Favored 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.145 1.23 . . . . 3.25 109.455 -179.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.731 HG22 ' CZ ' ' A' ' 19' ' ' TYR . 47.4 pt -76.48 153.97 5.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.322 -0.861 . . . . 2.8 111.102 -178.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 11.5 tm0? -88.04 153.56 21.18 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.044 -1.095 . . . . 1.66 108.044 179.191 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.565 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 9.8 tt -59.38 -55.46 34.38 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.661 -1.275 . . . . 1.54 112.016 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 66.0 p-90 -77.62 -31.77 53.06 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.438 -1.414 . . . . 1.16 111.299 -178.423 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -58.98 -39.97 83.38 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.604 -1.628 . . . . 2.34 106.604 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.641 ' HB2' HD12 ' A' ' 25' ' ' ILE . 54.0 t80 -68.22 -51.7 42.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.244 -0.65 . . . . 0.86 109.244 178.131 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -58.86 -50.48 73.85 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.261 -1.385 . . . . 1.52 107.261 179.669 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.94 -46.45 89.36 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.617 -0.677 . . . . 1.91 110.365 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.581 ' OE2' HD12 ' A' ' 16' ' ' LEU . 52.7 tp10 -62.44 -41.65 98.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.95 -1.093 . . . . 2.46 108.441 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -69.8 -41.62 74.8 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.025 -1.102 . . . . 1.54 108.025 179.394 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.04 -38.17 70.23 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 1.45 109.384 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -93.14 49.02 1.37 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.42 -0.8 . . . . 1.68 110.991 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -106.44 150.53 25.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.152 -0.968 . . . . 3.08 108.961 178.522 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.5 tppp? -70.23 -15.74 62.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.46 -0.775 . . . . 3.33 110.955 -179.168 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -72.05 62.31 0.46 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.358 -1.464 . . . . 2.66 107.7 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 41.4 t -82.0 -72.22 0.45 Allowed 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.698 0.761 . . . . 2.22 111.196 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' A' ' 42' ' ' SER . 35.3 mt-30 -66.66 150.47 49.0 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.638 -0.664 . . . . 3.09 110.888 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.558 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 5.5 p 84.65 -26.13 0.11 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.607 -0.516 . . . . 2.41 109.607 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 95.1 m-85 -123.67 -29.89 3.66 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.545 -0.722 . . . . 1.56 110.31 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.611 ' CG1' ' H ' ' A' ' 45' ' ' SER . 5.2 tt -165.76 -169.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.99 -1.069 . . . . 1.14 109.927 -178.737 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.611 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 15.2 t -137.4 124.79 21.93 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.012 -1.055 . . . . 1.71 111.177 -178.25 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.402 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -111.2 114.0 26.9 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 107.526 -1.287 . . . . 1.46 107.526 178.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.2 p -64.97 151.77 45.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.869 -1.144 . . . . 2.04 109.676 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.36 37.57 3.75 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.17 -1.572 . . . . 1.95 109.17 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -108.07 -123.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.442 -0.948 . . . . 3.56 108.442 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.31 0.35 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.277 -1.529 . . . . 1.32 109.277 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.43 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 56.5 t-105 -141.8 78.14 1.62 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.227 -1.16 . . . . 1.06 108.725 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -125.58 123.92 40.1 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.699 -1.223 . . . . 2.5 107.699 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -113.94 127.6 56.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.41 -0.806 . . . . 0.82 109.441 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -115.37 134.26 55.27 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.785 0.802 . . . . 2.34 109.979 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.84 115.75 27.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.632 -0.668 . . . . 1.3 109.377 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 41.1 p -79.17 -72.27 0.4 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.025 -1.047 . . . . 1.6 110.049 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 56' ' ' SER . 40.5 t0 -144.44 69.77 15.6 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 120.777 -1.202 . . . . 2.54 110.37 -179.772 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -62.62 56.09 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.663 1.576 . . . . 1.09 111.023 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 91.2 m-20 -74.3 -33.09 63.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.179 -1.575 . . . . 2.89 109.861 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -85.35 -34.36 21.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.975 -1.078 . . . . 3.15 109.222 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.65 -43.04 90.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.086 -0.709 . . . . 0.8 109.086 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.85 95.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 0.84 109.836 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 63' ' ' ARG . 16.5 mtt-85 -64.08 -42.68 96.87 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.136 -1.026 . . . . 3.69 108.786 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -66.14 -36.43 83.1 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.711 -0.796 . . . . 3.46 109.145 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -60.0 -40.86 90.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.218 -0.926 . . . . 1.08 109.425 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.95 -29.8 19.48 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.383 -1.087 . . . . 1.09 110.383 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -61.62 -43.92 97.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -1.217 . . . . 2.71 109.719 -179.086 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 1.2 mmp_? -62.25 -10.73 11.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.443 -0.786 . . . . 3.88 109.709 179.619 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -95.78 13.69 25.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.215 -0.928 . . . . 2.56 108.866 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 57.12 49.78 13.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.134 -0.979 . . . . 3.49 109.543 -179.51 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 72' ' ' PRO . 13.3 mptt -130.51 161.3 61.58 Favored Pre-proline 0 N--CA 1.503 2.202 0 N-CA-C 108.238 -1.023 . . . . 2.35 108.238 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.1 Cg_endo -59.26 -150.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.905 0 N-CA-C 108.442 -1.407 . . . . 2.96 108.442 178.709 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -86.94 130.17 34.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.521 -1.362 . . . . 5.24 108.972 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.01 136.95 52.56 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.536 0.684 . . . . 2.41 109.698 -179.135 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -74.6 174.01 9.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.761 . . . . 1.48 110.613 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.04 -17.44 63.26 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.431 0.634 . . . . 1.07 109.701 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.91 -36.4 74.65 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.923 -1.11 . . . . 2.53 110.005 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -31.44 68.65 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.671 -1.268 . . . . 4.23 109.652 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.19 -48.69 67.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.814 -1.179 . . . . 1.17 109.302 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 99.6 p -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.914 -1.116 . . . . 1.39 109.056 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.588 ' O ' ' NH1' ' A' ' 84' ' ' ARG . 82.8 mtm180 -63.41 -41.41 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 4.74 109.574 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.4 -43.41 6.57 Favored Glycine 0 N--CA 1.496 2.644 0 O-C-N 120.927 -1.108 . . . . 0.8 111.604 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.623 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -61.03 -49.75 76.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.849 -1.383 . . . . 1.57 109.819 -178.608 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.623 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -55.24 -45.15 76.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.436 -1.415 . . . . 2.34 109.026 -178.799 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.435 ' N ' ' CG ' ' A' ' 84' ' ' ARG . 75.6 t80 -58.63 -18.44 30.51 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.787 -1.196 . . . . 1.39 108.645 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -75.41 63.64 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.286 -0.884 . . . . 1.27 110.428 -179.136 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.623 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 39.8 m-85 -117.43 6.74 12.64 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.281 -1.007 . . . . 1.65 108.281 177.568 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -70.56 -42.95 70.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 2.74 109.175 -179.32 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -104.51 134.23 48.04 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.14 -1.059 . . . . 2.52 108.14 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -80.89 86.69 6.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.74 -1.208 . . . . 2.8 107.74 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.525 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -136.01 -40.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 107.946 -1.131 . . . . 1.28 107.946 -178.882 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.416 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 10.5 tt -140.12 133.54 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.465 -0.772 . . . . 1.09 109.354 179.384 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -135.43 156.0 49.62 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.716 -0.846 . . . . 1.79 108.716 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -77.09 150.57 35.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.328 -0.857 . . . . 2.83 110.31 -179.264 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 97' ' ' GLY . 38.7 m -86.95 143.7 27.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 1.24 108.383 179.184 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.78 10.52 0.67 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.367 -0.833 . . . . 2.47 109.854 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -81.84 -103.96 0.39 Allowed Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.116 -1.594 . . . . 2.32 109.116 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.47 ' H ' HG21 ' A' ' 101' ' ' VAL . 61.1 mttm -102.08 176.46 5.19 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.477 -1.014 . . . . 3.6 109.208 179.799 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -81.92 -9.08 59.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.482 -0.761 . . . . 5.66 110.157 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -98.53 -9.0 25.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.95 . . . . 1.27 110.004 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.47 HG21 ' H ' ' A' ' 98' ' ' LYS . 10.5 m -95.48 137.28 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.692 -1.255 . . . . 1.14 111.292 -179.059 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -114.61 170.8 8.05 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.495 -0.753 . . . . 1.23 109.676 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.414 ' HD3' ' H ' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -153.05 156.81 39.46 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.953 -1.128 . . . . 2.9 107.953 -179.803 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.43 ' HB2' ' HE1' ' A' ' 51' ' ' TRP . 31.4 m-85 -130.66 163.05 28.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.199 -0.938 . . . . 1.16 110.67 -179.235 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.097 -0.954 . . . . 1.98 108.882 179.93 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.508 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 111.411 4.514 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.129 1 O4'-C1'-N19 111.107 4.134 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.333 4.416 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 1 O4'-C1'-N19 111.469 4.587 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.547 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.776 4.97 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.663 H2'' ' OP2' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 112.311 5.639 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.663 ' OP2' H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.284 1 O4'-C1'-N19 111.736 4.92 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.61 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.689 0 O4'-C1'-N19 110.941 3.926 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.617 4.772 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.061 1 O4'-C1'-N19 111.625 4.781 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 1 O4'-C1'-N19 111.281 4.351 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.404 4.506 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.435 4.543 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.393 4.492 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.446 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.566 0 C3'-C2'-C1' 106.803 2.93 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.423 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.915 1 O4'-C1'-N19 111.213 4.266 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.481 1 O4'-C1'-N19 111.194 4.242 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.8 3.749 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.472 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.958 0 O4'-C1'-N19 110.311 3.138 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.472 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.802 3.752 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.409 ' C2 ' ' C2 ' ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.67 4.837 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.563 1 O4'-C1'-N19 111.134 4.168 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 1 O4'-C1'-N19 111.62 4.774 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.448 H5'' ' HZ3' ' A' ' 69' ' ' LYS . . . . . . . . 0 C5'--C4' 1.53 2.421 0 O4'-C1'-N19 110.856 3.82 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.481 ' OP1' ' SD ' ' A' ' 74' ' ' MET . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.764 4.955 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.53 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.511 1 O4'-C1'-N19 111.066 4.082 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.53 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.39 4.488 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.532 ' N2 ' ' C6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.047 4.059 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.486 ' N2 ' ' N3 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.387 1 O4'-C1'-N19 112.156 5.445 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.466 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.447 4.559 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.466 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.295 1 O4'-C1'-N19 111.521 4.651 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.472 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.221 0 C3'-C2'-C1' 106.934 3.025 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.531 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.925 3.906 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.531 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.107 4.134 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 10' ' ' VAL . 25.3 m . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.5 0.666 . . . . 3.34 109.433 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.451 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -143.79 60.13 8.0 Favored Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 120.856 -1.152 . . . . 3.52 108.14 179.407 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 13.5 Cg_endo -71.01 -8.09 22.84 Favored 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.174 1.249 . . . . 3.56 108.868 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.16 -52.24 27.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.548 -0.72 . . . . 2.93 110.463 -178.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.61 -21.92 64.78 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.039 -1.038 . . . . 3.29 109.31 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.65 -15.24 35.45 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.462 -0.774 . . . . 2.93 110.327 -179.334 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.66 -60.76 2.24 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.783 -1.198 . . . . 3.23 108.624 179.566 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.43 -3.44 58.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 3.32 110.507 -179.426 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.15 74.06 0.42 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 108.114 -1.994 . . . . 3.34 108.114 -178.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.453 ' CZ ' ' NH2' ' A' ' 68' ' ' ARG . 15.2 t80 -74.09 127.77 33.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.591 -0.947 . . . . 3.66 110.59 -178.119 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 m -97.27 142.42 29.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.702 -0.624 . . . . 4.79 109.342 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.08 -24.76 52.11 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.284 -1.526 . . . . 5.2 109.284 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.9 m -107.66 148.6 29.16 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.458 -1.024 . . . . 4.83 109.915 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 69.51 1.39 Allowed Glycine 0 N--CA 1.488 2.125 0 N-CA-C 108.979 -1.648 . . . . 3.71 108.979 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -58.85 140.36 94.83 Favored 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.254 1.303 . . . . 3.25 109.594 -179.11 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.446 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.3 tt -78.09 177.63 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 N-CA-C 108.533 -0.914 . . . . 2.8 108.533 179.777 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.809 ' NE2' ' H ' ' A' ' 29' ' ' GLN . 1.5 tm0? -80.47 158.09 25.99 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.237 -0.915 . . . . 1.66 110.09 -179.371 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.547 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -53.6 -78.06 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 113.212 0.819 . . . . 1.54 113.212 -176.47 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.665 ' CZ3' ' NE2' ' A' ' 29' ' ' GLN . 66.2 p-90 -56.65 -25.42 53.45 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.203 -1.561 . . . . 1.16 111.004 -176.785 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.809 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 25.2 mm-40 -64.01 -40.56 96.63 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.322 -1.362 . . . . 2.34 107.322 177.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 25.9 t80 -65.72 -52.63 49.72 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.527 -0.733 . . . . 0.86 109.371 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.81 -44.48 89.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 1.52 110.618 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.75 -43.15 89.78 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.149 -0.969 . . . . 1.91 110.536 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.2 -45.73 90.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.971 -1.08 . . . . 2.46 109.142 -178.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -67.59 -31.01 70.77 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.605 -0.887 . . . . 1.54 108.605 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.64 -40.22 86.94 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.246 -0.909 . . . . 1.45 110.609 -178.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -110.16 65.4 0.62 Allowed 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.317 -0.864 . . . . 1.68 109.855 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -135.81 -125.5 0.15 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.608 0.718 . . . . 3.08 109.49 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 169.76 0.48 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.33 -0.857 . . . . 3.33 110.145 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -75.5 104.88 6.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 2.66 107.715 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.6 t -86.25 0.88 52.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.22 109.561 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.2 -30.45 64.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.054 -1.029 . . . . 3.09 109.771 -179.534 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -80.38 -15.02 57.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.112 -0.992 . . . . 2.41 109.158 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -114.68 -10.35 12.47 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.219 -0.926 . . . . 1.56 109.495 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.645 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 7.3 tt -161.6 -171.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.142 -0.973 . . . . 1.14 109.197 -179.315 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.452 ' H ' HG12 ' A' ' 44' ' ' ILE . 46.9 t -113.98 111.89 22.4 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.027 -1.045 . . . . 1.71 110.062 -179.439 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.99 109.73 19.33 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.587 -1.264 . . . . 1.46 107.587 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 11.4 t -52.91 -177.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.837 -1.165 . . . . 2.04 110.891 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -56.93 -117.45 0.01 OUTLIER Glycine 0 N--CA 1.495 2.63 0 O-C-N 121.336 -0.853 . . . . 1.95 111.138 -179.184 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -109.84 17.29 21.34 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.946 -1.326 . . . . 3.56 111.082 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.18 -115.61 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.716 -1.753 . . . . 1.32 108.716 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -168.06 61.77 0.07 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.179 -1.189 . . . . 1.06 109.611 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.471 ' H ' ' CG2' ' A' ' 47' ' ' THR . 16.8 tp10 -122.41 102.48 8.12 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.409 -1.7 . . . . 2.5 106.409 178.389 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.645 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 29.5 t80 -106.15 119.52 39.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.488 -0.758 . . . . 0.82 110.192 -177.296 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -114.97 130.19 56.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.868 -0.79 . . . . 2.34 108.868 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.2 mp -87.64 97.96 11.16 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.543 -0.723 . . . . 1.3 110.414 -178.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 46.4 t -77.64 -60.44 2.37 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.58 -0.7 . . . . 1.6 110.42 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 56' ' ' SER . 94.9 m-20 -139.38 77.61 29.1 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.133 -0.979 . . . . 2.54 111.375 -178.549 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -76.15 57.11 5.15 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 121.684 1.589 . . . . 1.09 108.329 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.77 -41.29 68.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -0.83 . . . . 2.89 109.962 -179.231 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -87.08 -30.59 21.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 3.15 109.455 -178.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -68.31 -54.03 24.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.35 -0.844 . . . . 0.8 110.154 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.53 97.23 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 0.84 110.092 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.548 ' CG ' HH11 ' A' ' 63' ' ' ARG . 0.6 OUTLIER -59.4 -44.01 92.9 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.81 -1.181 . . . . 3.69 108.61 -179.799 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -74.29 -31.81 62.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.333 -0.855 . . . . 3.46 109.453 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.439 ' CD1' HD21 ' A' ' 79' ' ' LEU . 20.1 t-105 -59.94 -35.16 74.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.054 -1.029 . . . . 1.08 110.076 -179.305 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.42 -25.02 44.78 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.748 -1.341 . . . . 1.09 109.748 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -60.01 -36.06 76.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.028 -1.277 . . . . 2.71 109.606 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' NH2' ' CZ ' ' A' ' 19' ' ' TYR . 31.1 mmt180 -58.4 -31.77 68.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.085 -1.009 . . . . 3.88 109.617 -179.435 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' HZ3' H5'' ' C' ' 24' ' ' ' DT' . 7.9 mmtp -98.7 7.13 46.45 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.25 -0.906 . . . . 2.56 109.534 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.99 37.86 11.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.475 -0.766 . . . . 3.49 109.094 -179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -140.22 69.01 34.1 Favored Pre-proline 0 N--CA 1.497 1.902 0 N-CA-C 108.952 -0.758 . . . . 2.35 108.952 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -56.37 -9.3 3.43 Favored 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 121.854 1.703 . . . . 2.96 110.437 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -90.4 24.01 2.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.864 . . . . 5.24 109.458 -179.365 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.481 ' SD ' ' OP1' ' C' ' 25' ' ' ' DT' . 8.4 mmm -81.36 119.05 23.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.135 -0.978 . . . . 2.41 109.433 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 21.8 p30 -72.81 169.79 16.02 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.954 0.883 . . . . 1.48 110.803 -179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -70.84 -29.62 65.8 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.653 0.74 . . . . 1.07 109.087 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.04 -30.87 69.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.32 -0.862 . . . . 2.53 110.255 -178.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.486 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 60.4 mttp -58.96 -37.3 76.46 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.881 -1.137 . . . . 4.23 109.204 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 65' ' ' TRP . 2.9 mm? -66.29 -49.23 67.76 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.012 -1.055 . . . . 1.17 109.057 179.079 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -59.47 -43.74 93.19 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.029 -1.1 . . . . 1.39 108.029 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.514 HH22 ' H41' ' B' ' 7' ' ' ' DC' . 50.6 mtt-85 -68.96 -43.31 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.208 -0.932 . . . . 4.74 108.616 178.378 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . -67.8 -46.81 64.9 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 110.059 -1.217 . . . . 0.8 110.059 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.689 HD22 HD12 ' A' ' 92' ' ' ILE . 7.6 mt -67.73 -30.39 69.86 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.747 -1.443 . . . . 1.57 109.887 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -50.18 -50.02 50.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.984 -1.072 . . . . 2.34 109.524 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -73.07 -22.55 60.57 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.45 -0.781 . . . . 1.39 109.877 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.467 ' HB3' HD23 ' A' ' 83' ' ' LEU . 10.5 t80 -75.98 70.05 2.65 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.503 -0.748 . . . . 1.27 109.836 -178.532 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 16.8 m-85 -140.55 22.34 2.34 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.91 -0.774 . . . . 1.65 108.91 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -78.78 -37.97 39.68 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.115 -1.068 . . . . 2.74 108.115 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -103.85 141.7 35.68 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.53 -1.285 . . . . 2.52 107.53 178.354 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -80.15 92.24 5.65 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.607 -1.257 . . . . 2.8 107.607 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.452 ' O ' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -139.77 -51.98 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 115.859 -0.609 . . . . 1.28 109.907 -178.181 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.691 HD13 ' C ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -129.88 128.88 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.033 -1.042 . . . . 1.09 109.862 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.586 ' N ' HD13 ' A' ' 92' ' ' ILE . 13.6 m-70 -128.94 160.17 33.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.312 -0.867 . . . . 1.79 109.478 -179.071 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.553 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 27.7 ttpp -94.75 139.38 31.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.441 -0.787 . . . . 2.83 109.594 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 97' ' ' GLY . 32.1 m -87.56 141.61 28.49 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.225 -0.922 . . . . 1.24 110.129 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.35 19.71 0.1 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.526 -0.733 . . . . 2.47 111.234 -178.723 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 95' ' ' THR . . . -79.27 -94.89 0.31 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 108.75 -1.74 . . . . 2.32 108.75 179.171 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.705 ' H ' HG21 ' A' ' 101' ' ' VAL . 42.0 mmtm -107.53 -179.16 3.83 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.31 -1.112 . . . . 3.6 108.312 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -80.23 -8.88 59.65 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.399 -0.813 . . . . 5.66 110.836 -178.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.499 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 85.0 m-85 -106.86 11.24 30.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.085 -1.009 . . . . 1.27 110.682 -178.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.705 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.2 t -94.92 132.51 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.892 -1.13 . . . . 1.14 111.218 -177.581 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CE1' HD13 ' A' ' 83' ' ' LEU . 30.6 m-85 -123.01 157.48 32.63 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.493 -0.928 . . . . 1.23 108.493 178.721 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -146.82 158.34 43.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.021 -1.049 . . . . 2.9 109.226 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.504 ' CE2' ' CG1' ' A' ' 92' ' ' ILE . 38.0 m-85 -134.36 159.94 39.47 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.584 -0.698 . . . . 1.16 110.714 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 117.828 -1.082 . . . . 1.98 109.943 -179.202 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.471 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.607 0 O4'-C1'-N19 110.947 3.933 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.44 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.1 1 O4'-C1'-N19 111.316 4.395 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.456 " O5'" ' H8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.558 0 O4'-C1'-N19 110.773 3.716 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 1 O4'-C1'-N19 111.529 4.661 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.644 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.521 1 O4'-C1'-N19 112.168 5.46 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.644 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.524 1 O4'-C1'-N19 111.379 4.474 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.477 ' OP2' ' NE ' ' A' ' 99' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.055 1 O4'-C1'-N19 112.096 5.371 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.525 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.828 3.785 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.441 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 112.298 5.622 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.912 3.89 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.403 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.609 4.761 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.403 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.082 1 O4'-C1'-N19 111.996 5.245 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.467 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.209 1 O4'-C1'-N19 111.174 4.217 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.467 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.727 4.908 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 0 O4'-C1'-N19 110.425 3.282 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.067 4.084 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 1 O4'-C1'-N19 111.322 4.403 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.384 1 O4'-C1'-N19 111.26 4.324 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.407 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.423 3.279 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.407 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.213 0 O4'-C1'-N19 110.997 3.996 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.478 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.217 4.272 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.478 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.316 1 O4'-C1'-N19 111.462 4.577 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.346 1 O4'-C1'-N19 111.649 4.812 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.075 2.844 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.069 1 O4'-C1'-N19 111.829 5.037 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.972 3.965 . . . . 1.02 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.488 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.732 1 O4'-C1'-N19 111.076 4.094 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.488 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.045 0 O4'-C1'-N19 110.941 3.926 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.74 4.925 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 0 O4'-C1'-N19 110.768 3.71 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 111.204 4.255 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 C3'-C2'-C1' 106.781 2.915 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.462 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.295 4.368 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.462 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O4'-C1'-N19 110.753 3.691 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 10' ' ' VAL . 6.0 p . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 109.403 -0.591 . . . . 3.34 109.403 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.755 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -143.73 54.45 2.99 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.214 -0.929 . . . . 3.52 108.947 179.274 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 11.0 Cg_endo -66.88 -5.6 13.76 Favored 'Trans proline' 0 C--N 1.321 -0.888 0 N-CA-C 108.476 -1.394 . . . . 3.56 108.476 179.562 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.1 94.69 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.473 0.654 . . . . 2.93 109.419 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.22 95.0 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.378 -0.826 . . . . 3.29 110.165 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.71 -20.85 30.53 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.017 -1.052 . . . . 2.93 110.71 -178.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' PRO . 7.9 tp -86.78 -12.99 46.46 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.724 -1.235 . . . . 3.23 108.668 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.36 -70.91 0.39 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.034 -1.041 . . . . 3.32 109.456 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.95 24.02 25.54 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.556 -1.818 . . . . 3.34 108.556 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.06 155.81 39.72 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.438 -1.036 . . . . 3.66 108.539 -179.334 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.494 ' C ' ' H ' ' A' ' 22' ' ' SER . 85.1 m -91.86 135.85 33.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.938 -1.102 . . . . 4.79 108.711 179.66 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.98 38.91 0.3 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 110.042 -1.223 . . . . 5.2 110.042 -179.232 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.494 ' H ' ' C ' ' A' ' 20' ' ' THR . 47.3 t -108.12 112.4 24.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.495 -1.003 . . . . 4.83 108.938 179.559 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.35 160.45 5.0 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.179 -1.569 . . . . 3.71 109.179 179.715 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -64.23 143.41 83.49 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 121.073 1.182 . . . . 3.25 110.144 179.459 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.7 tt -74.11 162.37 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 2.8 108.78 179.578 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 2.6 tm0? -76.29 146.34 38.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.82 -1.175 . . . . 1.66 108.181 -179.405 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.651 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.7 tt -75.67 -67.15 0.7 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 1.54 112.961 -177.119 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 32.5 p-90 -65.81 -30.61 71.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.439 -1.413 . . . . 1.16 112.761 -176.345 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -59.59 -41.5 90.44 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.217 -1.552 . . . . 2.34 108.058 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.53 -49.09 62.21 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.626 0.726 . . . . 0.86 109.392 179.291 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.44 -43.98 95.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.546 -0.721 . . . . 1.52 109.066 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 tp -67.24 -41.04 86.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.479 -0.763 . . . . 1.91 110.077 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.2 -40.02 84.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.06 -1.025 . . . . 2.46 110.021 -179.42 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.91 -39.43 94.16 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.918 -1.114 . . . . 1.54 110.318 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 7.3 mp -59.94 -43.28 95.08 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.17 -0.957 . . . . 1.45 110.564 -179.287 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -94.55 12.59 26.91 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.961 -1.087 . . . . 1.68 111.069 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -118.43 -92.84 0.52 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.157 -0.964 . . . . 3.08 110.811 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -52.89 165.22 0.31 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.531 -0.73 . . . . 3.33 109.646 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -66.43 -130.29 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.219 -1.03 . . . . 2.66 108.219 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ILE . 1.3 p 179.0 -42.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.864 -1.148 . . . . 2.22 109.826 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -54.61 -26.02 30.14 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.774 -0.579 . . . . 3.09 111.139 -178.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -74.91 -34.34 62.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.914 -1.116 . . . . 2.41 111.122 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CE2' ' OE1' ' A' ' 60' ' ' GLU . 71.6 m-85 -128.78 -1.93 5.35 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.171 -0.956 . . . . 1.56 111.474 -178.616 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.549 HD11 ' HG ' ' A' ' 55' ' ' LEU . 7.9 tt -164.39 -170.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.458 -1.401 . . . . 1.14 109.689 -178.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' HG23 ' A' ' 44' ' ' ILE . 2.8 p -132.97 120.68 21.73 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.95 -1.093 . . . . 1.71 110.313 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.414 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.14 108.56 20.13 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.09 -1.448 . . . . 1.46 107.09 179.63 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.3 p -58.27 149.19 24.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.92 -1.113 . . . . 2.04 110.084 -179.099 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.32 47.07 1.11 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.577 -1.409 . . . . 1.95 109.577 179.694 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -117.43 -118.63 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.491 -1.005 . . . . 3.56 108.787 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.4 -86.47 0.97 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.449 -1.46 . . . . 1.32 109.449 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 68.9 t-105 -146.16 57.88 1.21 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.095 -1.238 . . . . 1.06 109.627 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 58.0 mp0 -104.8 120.92 42.53 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.804 -0.813 . . . . 2.5 108.804 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.421 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 64.0 t80 -117.72 128.26 54.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.38 -0.825 . . . . 0.82 109.294 -179.361 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -127.07 133.93 50.37 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 122.095 0.95 . . . . 2.34 109.866 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.8 mp -86.51 97.81 10.7 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.856 -0.528 . . . . 1.3 110.396 -179.185 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.4 m -78.19 -59.99 2.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 1.6 110.279 179.36 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -134.0 78.66 59.07 Favored Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 121.31 -0.869 . . . . 2.54 110.363 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -75.19 54.42 3.73 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 C-N-CA 121.401 1.401 . . . . 1.09 109.544 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.45 -41.55 69.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.824 -1.172 . . . . 2.89 110.648 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE1' ' CE2' ' A' ' 43' ' ' PHE . 68.8 mt-10 -87.71 -33.92 18.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.686 -1.259 . . . . 3.15 109.721 -179.242 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.65 -45.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.277 -0.89 . . . . 0.8 108.983 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.08 80.96 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.305 -0.872 . . . . 0.84 109.177 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -68.79 -43.9 74.69 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 3.69 109.89 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.76 -39.93 95.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.227 -0.921 . . . . 3.46 110.035 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.82 -37.44 71.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.115 -0.991 . . . . 1.08 108.761 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.37 -22.01 49.41 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.844 -1.303 . . . . 1.09 109.844 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -65.81 -35.95 82.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.96 -1.317 . . . . 2.71 109.659 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -57.44 -38.64 74.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.266 -0.896 . . . . 3.88 108.905 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.91 14.56 31.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.721 . . . . 2.56 109.514 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 58.23 51.97 7.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.729 -0.607 . . . . 3.49 110.528 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -140.89 69.85 29.5 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.047 -1.033 . . . . 2.35 109.546 178.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -72.61 -4.77 15.92 Favored 'Trans proline' 0 C--N 1.319 -1.006 0 C-N-CA 122.028 1.819 . . . . 2.96 111.35 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -99.1 7.97 45.37 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.858 -1.151 . . . . 5.24 111.769 -178.053 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.4 mmt -88.84 123.07 32.87 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.65 -1.281 . . . . 2.41 109.394 179.48 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' ND2' ' CG ' ' A' ' 77' ' ' GLU . 52.8 p-10 -67.3 -179.89 1.11 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.93 0.872 . . . . 1.48 111.183 -179.161 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.92 -20.4 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.067 -0.716 . . . . 1.07 109.067 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' CG ' ' ND2' ' A' ' 75' ' ' ASN . 65.4 mm-40 -60.09 -31.87 70.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 2.53 108.941 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -55.22 -38.07 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.716 -0.846 . . . . 4.23 108.716 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 83' ' ' LEU . 9.5 mt -66.9 -39.4 87.41 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.302 -0.873 . . . . 1.17 108.664 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.8 m -65.05 -47.02 78.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.96 -1.088 . . . . 1.39 109.884 179.647 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.461 HH21 ' H42' ' B' ' 7' ' ' ' DC' . 99.2 mtt180 -64.25 -33.82 76.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.112 -0.993 . . . . 4.74 109.894 -179.084 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.2 -55.3 1.73 Allowed Glycine 0 N--CA 1.492 2.378 0 C-N-CA 120.291 -0.957 . . . . 0.8 110.853 -178.62 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 83' ' ' LEU . 2.6 tt -61.48 -38.01 85.74 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.117 -1.225 . . . . 1.57 110.123 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.525 ' NE ' ' OP2' ' B' ' 8' ' ' ' DG' . 8.2 tmm_? -59.87 -50.46 73.69 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.183 -1.573 . . . . 2.34 109.349 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.413 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 63.0 t80 -57.37 -11.78 2.07 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.987 -1.071 . . . . 1.39 109.2 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -74.06 9.4 1.59 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.586 -0.696 . . . . 1.27 111.213 -178.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -76.81 13.04 1.11 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.686 -1.259 . . . . 1.65 109.262 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.25 -40.05 71.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 2.74 108.441 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -108.32 135.12 50.17 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.819 -0.808 . . . . 2.52 108.819 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -82.53 86.87 6.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.046 -1.034 . . . . 2.8 108.329 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.669 HD13 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -130.23 -57.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.815 -1.18 . . . . 1.28 107.815 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.615 ' N ' HG23 ' A' ' 91' ' ' ILE . 14.9 tt -114.59 123.98 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.249 -0.907 . . . . 1.09 109.27 179.094 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -110.15 147.6 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.312 -0.868 . . . . 1.79 109.606 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 94' ' ' LYS . 2.1 ttmp? -91.05 154.97 19.03 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.655 -0.869 . . . . 2.83 108.655 179.699 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.586 HG22 ' H ' ' A' ' 97' ' ' GLY . 28.4 m -85.74 139.44 31.34 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.423 -1.423 . . . . 1.24 108.706 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.21 46.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.426 -0.796 . . . . 2.47 110.747 -178.465 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 95' ' ' THR . . . -78.55 -96.84 0.25 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.52 -1.432 . . . . 2.32 109.52 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -106.19 165.08 11.5 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.589 -0.948 . . . . 3.6 108.912 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.515 ' NH1' ' OH ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -85.8 -17.21 36.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.91 -1.119 . . . . 5.66 110.734 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -71.68 -5.56 34.69 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.772 -1.205 . . . . 1.27 110.095 -178.211 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.48 120.29 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-O 121.875 0.845 . . . . 1.14 110.059 178.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.519 ' CE2' HD13 ' A' ' 83' ' ' LEU . 11.2 m-85 -105.33 150.88 24.81 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.517 -0.739 . . . . 1.23 109.257 179.122 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.412 ' HG3' HH11 ' A' ' 103' ' ' ARG . 29.4 mmm-85 -142.58 164.9 28.87 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.616 -0.883 . . . . 2.9 108.616 -179.691 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.442 ' CE2' HD12 ' A' ' 92' ' ' ILE . 28.4 m-85 -131.15 162.05 30.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.508 -0.745 . . . . 1.16 110.273 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 118.126 -0.94 . . . . 1.98 109.776 -179.282 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.81 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.139 4.173 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.249 4.311 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.248 4.31 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.377 5.721 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C1'-N19 110.724 3.655 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.58 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C1'-N19 111.478 4.598 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.58 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.552 4.69 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.612 ' N7 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.42 1 O4'-C1'-N19 111.416 4.52 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.591 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.972 5.215 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 1 O4'-C1'-N19 111.927 5.158 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.422 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.061 4.076 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.422 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.298 4.373 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.946 5.182 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 1 O4'-C1'-N19 111.131 4.164 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.538 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 C3'-C2'-C1' 107.025 3.089 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.538 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.542 4.677 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.324 4.405 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.368 4.46 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.486 3.357 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.247 4.308 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.444 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 112.113 5.391 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.478 ' OP1' ' NZ ' ' A' ' 89' ' ' LYS . . . . . . . . 0 O4'--C1' 1.448 2.124 1 O4'-C1'-N19 111.944 5.18 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 1 O4'-C1'-N19 111.442 4.552 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.621 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.354 1 O4'-C1'-N19 111.114 4.143 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.621 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.848 5.06 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.475 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.808 3.76 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.475 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O4'-C1'-N19 110.75 3.687 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.314 4.392 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.532 ' C2 ' ' C4 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 112.402 5.752 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.532 ' C4 ' ' C2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.587 0 O4'-C1'-N19 110.457 3.321 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.527 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.572 4.715 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.417 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.17 2.963 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.407 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.945 3.931 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.407 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 110.959 3.949 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.855 -0.424 . . . . 3.34 109.855 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.6 tp -139.6 64.58 30.41 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 3.52 109.096 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.88 -3.49 12.85 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 N-CA-C 108.04 -1.562 . . . . 3.56 108.04 178.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.23 -51.27 47.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.782 -0.574 . . . . 2.93 110.005 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.55 67.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.295 -0.878 . . . . 3.29 108.814 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.83 -33.62 27.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.728 -0.608 . . . . 2.93 110.59 -179.484 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.78 -39.23 44.76 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.126 -0.983 . . . . 3.23 109.545 -179.222 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -84.03 -15.53 47.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.296 -0.878 . . . . 3.32 109.929 -179.7 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.66 -7.11 9.52 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.67 -1.772 . . . . 3.34 108.67 -179.506 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' H ' ' C ' ' A' ' 17' ' ' ALA . 1.2 t80 -72.17 121.1 18.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.912 -0.757 . . . . 3.66 109.765 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 21' ' ' GLY . 30.4 m -126.31 -112.11 0.29 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.738 -0.838 . . . . 4.79 108.738 179.425 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 20' ' ' THR . . . -90.88 57.53 3.31 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.74 -1.344 . . . . 5.2 109.74 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 t -106.74 40.58 1.61 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.313 -1.11 . . . . 4.83 109.312 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 170.53 47.11 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.05 -2.02 . . . . 3.71 108.05 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -68.93 129.59 18.76 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.078 1.041 . . . . 3.25 110.725 -179.749 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.455 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt -84.11 -176.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 2.8 108.395 178.803 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.66 108.712 -179.736 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 1.54 111.297 -178.108 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.16 112.011 -177.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.34 108.256 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.86 108.747 178.134 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 1.52 110.492 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 32' ' ' LEU . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 1.91 109.621 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 1.54 109.377 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.45 110.587 -178.643 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 1.68 112.057 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.564 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.33 110.149 -179.359 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.66 111.326 -178.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.22 110.158 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.09 111.081 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.41 111.51 -178.296 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.56 109.747 -178.585 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.14 108.019 -178.27 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 1.71 110.058 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.04 109.705 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 1.95 109.273 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.32 107.908 179.115 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.06 109.701 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.82 108.999 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.34 110.392 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.747 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.3 108.949 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.6 109.957 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 0.8 108.835 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 0.84 108.887 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 3.69 108.871 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 3.46 110.563 179.535 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.443 ' CZ2' HD21 ' A' ' 27' ' ' LEU . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.08 110.981 -178.098 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.09 110.866 -178.294 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 2.71 108.15 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 3.88 109.578 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 2.56 108.904 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.49 110.353 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.35 108.785 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 2.96 109.728 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.24 109.121 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.41 109.491 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.48 110.612 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.07 108.55 179.029 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.23 108.965 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.17 108.572 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.39 109.117 178.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.612 ' NH1' ' N7 ' ' B' ' 8' ' ' ' DG' . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 4.74 110.627 -179.115 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.8 111.163 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 1.57 109.557 -178.734 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.34 108.845 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.39 109.962 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 1.65 107.49 179.484 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' NZ ' ' OP1' ' C' ' 22' ' ' ' DA' . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 2.52 109.052 -179.52 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 2.8 109.113 179.221 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.83 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.28 111.335 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.83 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.09 109.372 -178.466 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.555 ' N ' HD13 ' A' ' 92' ' ' ILE . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 1.79 109.951 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 2.83 109.913 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.24 108.762 179.787 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.47 110.938 -178.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 95' ' ' THR . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.678 ' H ' HG21 ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.6 108.855 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 5.66 110.903 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.27 111.004 -178.483 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.678 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.14 111.704 -178.287 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CD1' HD23 ' A' ' 55' ' ' LEU . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.23 108.629 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 2.9 109.782 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 35' ' ' LEU . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.16 109.809 -178.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 1.98 109.771 -178.687 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.555 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.841 3.801 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.555 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.244 3.055 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.977 3.971 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C1'-N19 110.251 3.064 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 1 O4'-C1'-N19 111.688 4.86 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.599 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.223 3.029 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.599 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.695 1 O4'-C1'-N19 111.97 5.213 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.576 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.752 0 O4'-C1'-N19 110.901 3.876 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.493 ' O6 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.295 4.368 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.643 ' N6 ' HH12 ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.722 4.902 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.411 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.538 4.672 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.411 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 112.185 5.482 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 1 O4'-C1'-N19 111.368 4.46 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 111.031 4.038 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C3'-C2'-C1' 107.001 3.072 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.19 4.238 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 1 O4'-C1'-N19 111.299 4.374 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.787 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 110.861 3.826 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.608 0 O4'-C1'-N19 110.816 3.77 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.595 4.743 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.487 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.778 4.972 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.487 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.596 0 O4'-C1'-N19 110.588 3.485 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 112.159 5.449 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.51 H5'' ' HZ1' ' A' ' 69' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.256 0 O4'-C1'-N19 110.495 3.369 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.435 ' O4 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.905 5.131 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.489 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.004 1 O4'-C1'-N19 111.607 4.759 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.508 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.317 3.146 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.534 ' N2 ' ' C6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.332 4.415 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.836 5.045 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.49 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.237 0 O4'-C1'-N19 110.775 3.719 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.49 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.296 4.37 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.454 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-N19 110.272 3.091 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.486 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.912 1 O4'-C1'-N19 111.291 4.364 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.486 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.026 4.033 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.251 0.548 . . . . 3.34 109.532 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.596 ' C ' ' H ' ' A' ' 13' ' ' ALA . 1.1 pp -142.76 61.5 11.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.24 -0.913 . . . . 3.52 108.735 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.91 29.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.716 1.61 . . . . 3.56 111.257 -178.57 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.596 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -103.77 -169.64 1.67 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 2.93 110.791 -179.561 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -10.48 25.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.778 -0.576 . . . . 3.29 109.604 179.362 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.71 -11.58 59.89 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.607 -1.257 . . . . 2.93 107.607 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.3 tt -84.76 -66.7 0.86 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.592 -1.262 . . . . 3.23 107.592 178.63 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.13 -66.34 0.88 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.303 -0.999 . . . . 3.32 108.303 178.849 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.81 27.03 73.14 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.729 -0.948 . . . . 3.34 110.729 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE1' HD12 ' A' ' 25' ' ' ILE . 34.1 p90 -74.18 133.73 42.75 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.977 -1.308 . . . . 3.66 109.561 179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.528 ' C ' ' H ' ' A' ' 22' ' ' SER . 73.4 p -94.64 -158.12 0.61 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.258 -0.901 . . . . 4.79 110.078 -179.553 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.73 8.22 0.14 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.508 -1.037 . . . . 5.2 110.508 -179.359 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 20' ' ' THR . 39.3 m -98.32 131.33 44.71 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.073 -1.251 . . . . 4.83 108.069 179.038 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.64 64.15 4.33 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.358 -1.497 . . . . 3.71 109.358 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -57.87 121.97 10.93 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 120.758 0.972 . . . . 3.25 109.897 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.409 HD12 ' CE1' ' A' ' 19' ' ' TYR . 81.6 mt -77.38 152.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.232 -0.917 . . . . 2.8 109.204 179.392 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.66 109.276 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 1.54 111.851 -178.333 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.16 109.752 -177.861 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.34 107.955 179.42 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.86 109.015 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 1.52 108.133 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 1.91 108.608 179.634 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 1.54 110.297 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.45 110.779 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 1.68 110.916 -178.347 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.33 109.825 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.66 107.662 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.22 109.567 179.53 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.09 111.092 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.408 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.41 111.856 -178.524 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.56 110.064 -178.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.51 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.14 109.021 -178.298 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.51 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 1.71 108.161 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.562 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.04 108.664 179.619 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 1.95 110.204 -179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.32 110.423 -178.057 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.06 109.365 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.562 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.82 108.973 -178.532 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.34 110.813 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.3 110.562 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.6 109.533 178.721 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 57' ' ' ASP . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 0.8 109.186 179.602 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 0.84 109.628 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 3.69 108.768 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 3.46 110.912 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.435 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.08 109.062 -178.452 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.09 110.152 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 2.71 110.309 -179.563 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 3.88 109.532 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.51 ' HZ1' H5'' ' C' ' 24' ' ' ' DT' . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 2.56 109.329 -179.288 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.49 109.834 -179.799 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.35 108.91 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 2.96 111.3 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.24 109.5 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.41 108.495 179.465 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.48 111.022 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.07 108.772 179.089 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.23 108.631 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.17 108.506 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.39 109.168 179.462 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.699 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 4.74 110.197 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.8 111.108 -178.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 1.57 108.49 -179.152 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.699 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.34 109.873 179.552 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.39 108.705 179.095 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 1.65 109.312 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 2.52 107.965 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 2.8 107.759 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.591 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.28 109.023 -178.39 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.683 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.09 110.277 -179.626 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 1.79 109.562 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 2.83 110.316 -179.038 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.24 109.242 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.47 110.617 -179.16 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.6 109.18 -179.789 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 5.66 109.177 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.27 111.123 -178.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.461 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.14 110.352 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.23 109.748 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.9 108.091 178.271 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.683 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.16 108.902 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 1.98 109.869 -178.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.478 HG12 ' H ' ' A' ' 26' ' ' GLN . 14.5 tt . . . . . 0 N--CA 1.488 1.475 0 CA-C-O 121.697 0.76 . . . . 2.8 110.303 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.59 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -77.07 138.79 39.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.451 -0.781 . . . . 1.66 109.789 -179.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 27' ' ' LEU . 3.1 tm? -51.36 -63.69 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.494 -0.753 . . . . 1.54 111.397 -177.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.59 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 59.8 p-90 -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.413 -1.429 . . . . 1.16 109.391 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.504 ' H ' ' HG3' ' A' ' 26' ' ' GLN . 62.4 tt0 -68.97 -37.88 79.04 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 118.863 -1.135 . . . . 2.34 108.445 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.15 -49.12 73.39 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.329 -0.619 . . . . 0.86 109.329 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 31' ' ' LEU . 4.1 tt -63.43 -46.61 85.54 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.068 -1.086 . . . . 1.52 108.068 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.79 -40.17 91.63 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.003 -0.739 . . . . 1.91 109.003 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.38 -48.75 79.85 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.249 -0.981 . . . . 2.46 108.96 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.53 -30.05 66.7 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.076 -1.015 . . . . 1.54 108.945 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 10.7 tp -49.94 -46.72 52.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.704 -1.248 . . . . 1.45 110.371 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 p -81.92 56.95 3.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.783 -1.198 . . . . 1.68 107.88 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 42.6 t0 -102.52 132.11 48.79 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 121.889 0.852 . . . . 3.08 109.473 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 9.5 mmpt? -68.5 -40.28 80.93 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.46 0.648 . . . . 3.33 110.138 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -76.99 -10.77 59.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.503 -0.748 . . . . 2.66 111.047 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.544 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -51.77 -28.51 15.54 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.733 -1.187 . . . . 2.22 109.45 -179.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.13 -34.47 76.41 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.472 -1.392 . . . . 3.09 110.189 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.505 ' OG ' ' CD1' ' A' ' 43' ' ' PHE . 88.8 p -82.92 -15.52 51.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.7 -1.25 . . . . 2.41 111.014 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.505 ' CD1' ' OG ' ' A' ' 42' ' ' SER . 97.0 m-85 -119.12 -7.97 10.24 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.499 -0.75 . . . . 1.56 110.05 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 40' ' ' CYS . 11.2 tt -162.31 -177.31 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 1.14 109.605 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.49 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 75.0 m -113.26 115.21 27.82 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.067 -1.021 . . . . 1.71 110.956 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.491 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -117.45 98.53 6.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.113 -1.44 . . . . 1.46 107.113 178.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -68.32 142.5 55.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.585 -1.322 . . . . 2.04 110.273 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.43 50.17 1.64 Allowed Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.886 -1.286 . . . . 1.95 109.886 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -115.92 -112.16 0.34 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.41 -1.053 . . . . 3.56 108.946 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.8 -102.78 0.56 Allowed Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.855 -1.698 . . . . 1.32 108.855 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -144.22 82.18 1.7 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.047 -1.266 . . . . 1.06 109.858 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -131.91 131.44 42.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.459 -0.941 . . . . 2.5 108.459 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' HD11 ' A' ' 35' ' ' LEU . 51.2 t80 -122.16 118.52 28.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.599 -0.688 . . . . 0.82 109.755 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -110.87 135.5 51.33 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.438 -0.789 . . . . 2.34 109.835 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.2 mp -94.36 100.26 12.32 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.645 -0.66 . . . . 1.3 110.301 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 84.1 p -80.02 -63.04 1.5 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.14 -0.975 . . . . 1.6 109.561 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' OG ' ' A' ' 56' ' ' SER . 82.0 m-20 -140.07 80.28 20.65 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.124 -0.985 . . . . 2.54 110.484 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -73.93 57.63 3.91 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.229 1.286 . . . . 1.09 108.9 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.95 -41.18 71.45 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.107 -0.995 . . . . 2.89 109.625 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 43' ' ' PHE . 84.8 mt-10 -88.3 -32.22 18.58 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.977 -0.749 . . . . 3.15 108.977 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.64 -43.25 96.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.162 -0.961 . . . . 0.8 108.983 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.75 75.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.046 -1.034 . . . . 0.84 109.858 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.703 HH12 ' NZ ' ' A' ' 73' ' ' LYS . 8.3 mtt-85 -60.18 -44.9 94.68 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.404 -0.919 . . . . 3.69 108.693 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -63.82 -39.04 93.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.793 -0.817 . . . . 3.46 108.793 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.674 ' CD1' HD21 ' A' ' 79' ' ' LEU . 24.2 t-105 -58.52 -41.77 86.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.923 -1.111 . . . . 1.08 108.589 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.85 -17.88 64.63 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.446 -1.062 . . . . 1.09 110.446 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -66.42 -44.84 81.8 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.176 -1.191 . . . . 2.71 109.527 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -61.97 -22.03 65.31 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.446 -0.784 . . . . 3.88 108.958 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -91.98 6.21 47.2 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.391 -0.818 . . . . 2.56 109.486 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 56.69 59.01 3.75 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 3.49 110.597 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -132.11 145.9 59.35 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 107.522 -1.288 . . . . 2.35 107.522 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -60.04 -65.14 0.08 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 121.278 1.319 . . . . 2.96 110.127 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.703 ' NZ ' HH12 ' A' ' 63' ' ' ARG . 55.1 tttp -132.54 132.19 42.34 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.341 -0.985 . . . . 5.24 108.341 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.0 tpp -115.13 128.73 56.39 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.917 0.865 . . . . 2.41 109.86 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.778 HD22 ' H ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -67.45 143.41 56.25 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.785 0.802 . . . . 1.48 109.825 179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.529 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 68.7 t80 -66.61 -23.79 66.23 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.842 -0.799 . . . . 1.07 108.842 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -58.95 -28.08 65.94 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 107.228 -1.397 . . . . 2.53 107.228 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.532 ' HZ2' ' HE1' ' A' ' 65' ' ' TRP . 12.2 tmtt? -56.79 -39.89 74.94 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.934 -1.136 . . . . 4.23 107.934 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.674 HD21 ' CD1' ' A' ' 65' ' ' TRP . 2.9 mm? -66.38 -47.34 73.69 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 107.996 -1.113 . . . . 1.17 107.996 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.3 m -60.08 -44.06 95.04 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.251 -1.38 . . . . 1.39 108.773 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -68.23 -43.0 78.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.919 -1.113 . . . . 4.74 111.275 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.53 -47.99 4.4 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.092 -1.052 . . . . 0.8 110.987 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -60.83 -47.03 88.2 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.42 -1.047 . . . . 1.57 109.562 -178.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -54.0 -49.07 69.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.324 -1.485 . . . . 2.34 108.158 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.416 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 73.6 t80 -62.6 -5.61 2.79 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.144 -0.972 . . . . 1.39 109.843 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 88' ' ' ASP . 11.7 t80 -72.59 3.15 5.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.89 -1.131 . . . . 1.27 111.343 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.62 59.23 0.2 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.663 -1.273 . . . . 1.65 107.614 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' TYR . 65.0 m-20 -80.71 -47.68 13.65 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 2.74 110.532 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -126.05 -93.43 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.813 0.816 . . . . 2.52 109.671 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.538 HD21 HG11 ' A' ' 105' ' ' VAL . 0.4 OUTLIER -160.51 92.98 0.99 Allowed 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.807 -1.183 . . . . 2.8 107.807 -179.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.875 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -144.92 -91.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.466 -0.771 . . . . 1.28 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.875 ' H ' HG23 ' A' ' 91' ' ' ILE . 12.6 tt -93.95 120.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.389 -1.444 . . . . 1.09 110.219 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.418 ' NE2' ' ND2' ' A' ' 90' ' ' ASN . 25.1 m170 -105.3 150.08 25.48 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.481 -0.933 . . . . 1.79 108.481 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -89.54 140.08 29.89 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.754 -1.216 . . . . 2.83 109.714 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 97' ' ' GLY . 35.3 m -88.6 132.44 34.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.0 -1.063 . . . . 1.24 110.246 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.64 19.8 0.36 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.905 . . . . 2.47 109.834 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.418 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.54 -92.29 0.27 Allowed Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.909 -1.676 . . . . 2.32 108.909 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.559 ' H ' HG21 ' A' ' 101' ' ' VAL . 32.8 mmtp -103.93 -175.14 2.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.387 -1.067 . . . . 3.6 108.801 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.622 ' CG ' HH11 ' A' ' 99' ' ' ARG . 4.2 mtt-85 -85.45 -13.29 49.67 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.709 -1.245 . . . . 5.66 109.399 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -108.5 9.92 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.932 -1.105 . . . . 1.27 111.171 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.559 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.4 m -91.56 121.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.326 -1.484 . . . . 1.14 111.141 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.529 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 9.2 m-85 -114.07 148.42 37.11 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.009 -1.108 . . . . 1.23 108.009 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -151.11 157.1 42.32 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.087 -1.008 . . . . 2.9 109.573 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.676 ' CE2' HD12 ' A' ' 92' ' ' ILE . 46.3 m-85 -124.69 158.92 32.02 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.587 -0.894 . . . . 1.16 108.587 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.538 HG11 HD21 ' A' ' 90' ' ' ASN . 10.0 p . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 118.061 -0.971 . . . . 1.98 109.458 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.455 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 2.8 108.395 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.66 108.712 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 1.54 111.297 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.16 112.011 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.34 108.256 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.86 108.747 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 1.52 110.492 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 32' ' ' LEU . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 1.91 109.621 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 1.54 109.377 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.45 110.587 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 1.68 112.057 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.564 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.33 110.149 -179.359 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.66 111.326 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.22 110.158 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.09 111.081 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.41 111.51 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.56 109.747 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.14 108.019 -178.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 1.71 110.058 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.04 109.705 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 1.95 109.273 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.32 107.908 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.06 109.701 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.82 108.999 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.34 110.392 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.747 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.3 108.949 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.6 109.957 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 0.8 108.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 0.84 108.887 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 3.69 108.871 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 3.46 110.563 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.443 ' CZ2' HD21 ' A' ' 27' ' ' LEU . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.08 110.981 -178.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.09 110.866 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 2.71 108.15 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 3.88 109.578 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 2.56 108.904 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.49 110.353 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.35 108.785 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 2.96 109.728 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.24 109.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.41 109.491 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.48 110.612 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.07 108.55 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.23 108.965 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.17 108.572 178.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.39 109.117 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 4.74 110.627 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.8 111.163 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 1.57 109.557 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.34 108.845 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.39 109.962 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 1.65 107.49 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 2.52 109.052 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 2.8 109.113 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.83 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.28 111.335 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.83 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.09 109.372 -178.466 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.555 ' N ' HD13 ' A' ' 92' ' ' ILE . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 1.79 109.951 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 2.83 109.913 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.24 108.762 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.47 110.938 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 95' ' ' THR . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.678 ' H ' HG21 ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.6 108.855 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 5.66 110.903 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.27 111.004 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.678 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.14 111.704 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CD1' HD23 ' A' ' 55' ' ' LEU . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.23 108.629 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 2.9 109.782 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 35' ' ' LEU . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.16 109.809 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 1.98 109.771 -178.687 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.204 -0.665 . . . . 2.8 109.204 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.66 109.276 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 1.54 111.851 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.16 109.752 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.34 107.955 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.86 109.015 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 1.52 108.133 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 1.91 108.608 179.634 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 1.54 110.297 -179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.45 110.779 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 1.68 110.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.33 109.825 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.66 107.662 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.22 109.567 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.09 111.092 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.408 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.41 111.856 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.56 110.064 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.51 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.14 109.021 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.51 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 1.71 108.161 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.562 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.04 108.664 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 1.95 110.204 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.32 110.423 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.06 109.365 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.562 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.82 108.973 -178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.34 110.813 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.3 110.562 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.6 109.533 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 57' ' ' ASP . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 0.8 109.186 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 0.84 109.628 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 3.69 108.768 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 3.46 110.912 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.435 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.08 109.062 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.09 110.152 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 2.71 110.309 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 3.88 109.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 2.56 109.329 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.49 109.834 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.35 108.91 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 2.96 111.3 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.24 109.5 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.41 108.495 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.48 111.022 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.07 108.772 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.23 108.631 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.17 108.506 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.39 109.168 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.699 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 4.74 110.197 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.8 111.108 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 1.57 108.49 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.699 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.34 109.873 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.39 108.705 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 1.65 109.312 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 2.52 107.965 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 2.8 107.759 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.591 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.28 109.023 -178.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.683 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.09 110.277 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 1.79 109.562 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 2.83 110.316 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.24 109.242 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.47 110.617 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.6 109.18 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 5.66 109.177 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.27 111.123 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.461 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.14 110.352 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.23 109.748 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.9 108.091 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.683 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.16 108.902 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 1.98 109.869 -178.872 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 121.253 0.549 . . . . 2.8 109.568 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.554 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 5.9 tm0? -88.51 149.91 23.38 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.594 -1.262 . . . . 1.66 107.594 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.3 tt -58.97 -56.06 27.07 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 1.54 111.949 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.605 ' N ' HD23 ' A' ' 27' ' ' LEU . 58.6 p-90 -73.22 -35.75 66.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.251 -1.53 . . . . 1.16 111.272 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -53.81 -44.0 69.81 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 119.988 -1.695 . . . . 2.34 107.762 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.08 -42.67 98.94 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.837 -0.801 . . . . 0.86 108.837 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -61.15 -50.24 73.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.117 -0.989 . . . . 1.52 109.386 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD21 ' CD2' ' A' ' 104' ' ' PHE . 3.6 mm? -60.55 -43.93 96.69 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.981 -1.074 . . . . 1.91 110.093 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -60.84 -49.36 77.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.758 -1.214 . . . . 2.46 108.44 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.7 -39.72 91.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.288 -0.882 . . . . 1.54 109.913 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 9.2 tt -57.46 -39.61 76.69 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.216 -0.927 . . . . 1.45 109.444 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -113.44 70.44 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.508 -0.745 . . . . 1.68 109.791 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 37' ' ' ASP . 23.2 p-10 -115.31 -135.46 0.35 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.561 -0.712 . . . . 3.08 109.712 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -59.55 -143.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.935 -1.103 . . . . 3.33 111.042 -178.596 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 41' ' ' GLN . 23.0 t -63.43 -39.51 94.68 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.145 -0.972 . . . . 2.66 110.057 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 38' ' ' LYS . 1.8 m 70.43 -19.05 0.22 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.011 -1.056 . . . . 2.22 109.293 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.551 ' H ' ' C ' ' A' ' 39' ' ' SER . 38.6 mm-40 -63.48 -33.04 74.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.47 -0.769 . . . . 3.09 111.044 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.9 m -79.22 -19.31 51.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.95 -1.094 . . . . 2.41 111.257 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.14 -12.92 8.62 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.022 -1.049 . . . . 1.56 110.514 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.521 ' CG1' ' H ' ' A' ' 45' ' ' SER . 9.1 tt -163.2 -175.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.033 -1.042 . . . . 1.14 109.368 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.521 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 12.0 t -120.19 124.11 44.91 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.71 -1.244 . . . . 1.71 110.701 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.73 106.16 13.55 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.631 -1.618 . . . . 1.46 106.631 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.0 p -66.98 156.84 34.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.902 -1.124 . . . . 2.04 110.193 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.38 60.77 1.54 Allowed Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.373 -1.491 . . . . 1.95 109.373 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.547 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 31.5 t70 -122.43 -153.48 0.55 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.215 -1.032 . . . . 3.56 108.215 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.547 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -77.98 -61.89 2.45 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 108.623 -1.791 . . . . 1.32 108.623 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -150.66 69.99 1.0 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -1.189 . . . . 1.06 108.18 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -119.42 98.94 6.38 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.456 -1.313 . . . . 2.5 107.456 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' TYR . 58.4 t80 -109.77 133.06 53.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.321 -0.862 . . . . 0.82 110.669 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -133.94 142.05 47.55 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 122.332 1.063 . . . . 2.34 109.989 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.1 mp -90.58 100.26 13.14 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.886 -0.597 . . . . 1.3 110.564 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 31.0 t -79.47 -62.56 1.65 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.955 . . . . 1.6 110.492 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 56' ' ' SER . 87.7 m-20 -137.66 77.67 38.87 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 121.226 -0.921 . . . . 2.54 111.399 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.51 58.31 4.49 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 N-CA-C 109.206 -1.113 . . . . 1.09 109.206 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.92 -41.58 61.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.886 -1.134 . . . . 2.89 109.708 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -80.06 -34.21 38.37 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.5 -0.926 . . . . 3.15 108.5 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.63 -42.95 87.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.485 -0.759 . . . . 0.8 109.991 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.32 91.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.956 -1.09 . . . . 0.84 109.082 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.416 HH11 ' HG3' ' A' ' 63' ' ' ARG . 9.1 ttm-85 -61.2 -47.08 87.78 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.609 -0.886 . . . . 3.69 108.609 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -66.87 -41.43 87.27 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.27 -0.894 . . . . 3.46 110.664 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.576 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 10.8 t-105 -62.17 -46.2 90.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.122 -0.986 . . . . 1.08 110.013 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.79 -49.7 47.15 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 120.102 -1.047 . . . . 1.09 110.748 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -66.69 -7.35 20.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.944 -1.327 . . . . 2.71 110.117 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -58.11 -38.89 77.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.886 -1.133 . . . . 3.88 109.337 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -102.94 30.51 4.74 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.406 -0.809 . . . . 2.56 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 55.98 57.3 5.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.199 -0.938 . . . . 3.49 110.018 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 72' ' ' PRO . 61.0 mttm -129.16 154.13 80.47 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.415 -0.803 . . . . 2.35 109.728 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 71' ' ' LYS . 3.0 Cg_exo -52.84 -159.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 121.61 1.54 . . . . 2.96 110.566 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -88.41 123.6 33.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.887 -1.133 . . . . 5.24 109.829 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 19.6 mmt -111.58 137.36 49.53 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.432 -0.793 . . . . 2.41 109.85 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.51 173.0 7.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.601 -0.687 . . . . 1.48 110.015 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.516 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 62.4 t80 -69.83 -15.74 63.15 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.35 -0.844 . . . . 1.07 109.882 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -56.53 -32.87 65.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -0.915 . . . . 2.53 108.638 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.576 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 11.6 tmtt? -55.98 -42.69 76.7 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.562 -0.711 . . . . 4.23 109.552 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 76' ' ' TYR . 6.9 mt -68.0 -41.35 82.4 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.451 -0.781 . . . . 1.17 109.933 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.5 p -60.85 -46.71 89.5 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.689 -1.257 . . . . 1.39 109.34 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -77.68 -42.31 35.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.326 -0.859 . . . . 4.74 109.756 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.4 -48.71 22.98 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 120.18 -1.009 . . . . 0.8 111.593 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.62 -30.78 70.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.66 -1.494 . . . . 1.57 110.7 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -53.16 -37.06 61.53 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.878 -1.139 . . . . 2.34 109.434 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 36.6 t80 -73.47 -14.79 61.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.047 -1.033 . . . . 1.39 109.723 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.495 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 4.5 t80 -70.98 6.94 1.32 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.104 -0.998 . . . . 1.27 111.625 -177.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.521 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 8.8 m-85 -77.14 15.8 0.66 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.681 -1.262 . . . . 1.65 109.639 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -73.06 -36.66 66.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.84 -1.163 . . . . 2.74 108.865 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -109.24 136.52 48.57 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.825 -1.176 . . . . 2.52 107.825 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -78.04 91.41 4.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.701 -1.249 . . . . 2.8 109.123 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -136.19 -46.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 115.766 -0.652 . . . . 1.28 109.344 -179.191 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.595 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 4.6 tt -137.26 136.16 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.159 -0.963 . . . . 1.09 110.004 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -134.13 149.43 51.07 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.959 -0.756 . . . . 1.79 108.959 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.521 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 67.0 mttm -81.27 144.82 31.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.135 -0.978 . . . . 2.83 110.635 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 97' ' ' GLY . 94.1 m -91.47 127.95 37.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.648 -0.658 . . . . 1.24 109.648 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.96 26.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.355 -0.841 . . . . 2.47 110.362 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 95' ' ' THR . . . -80.52 -69.02 1.42 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.092 -1.203 . . . . 2.32 110.092 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.531 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.3 tptm -113.32 -133.79 0.34 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.291 -1.003 . . . . 3.6 108.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.43 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 88.2 mtm180 -121.1 -32.92 3.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.297 -0.877 . . . . 5.66 109.588 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -107.13 26.41 10.19 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.319 -0.863 . . . . 1.27 109.805 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.531 HG21 ' H ' ' A' ' 98' ' ' LYS . 4.6 m -91.21 124.01 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 120.735 -1.228 . . . . 1.14 109.906 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.516 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 14.6 m-85 -118.15 145.41 44.93 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.756 -0.831 . . . . 1.23 108.756 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -146.92 159.31 43.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 2.9 109.387 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 23.0 m-85 -130.01 162.92 27.62 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.581 0.705 . . . . 1.16 109.851 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.934 -1.031 . . . . 1.98 109.838 -179.396 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.454 HD12 ' HB2' ' A' ' 30' ' ' PHE . 21.3 pt . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.463 0.649 . . . . 2.8 109.686 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.576 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 4.8 tm0? -83.12 153.15 24.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.381 -0.825 . . . . 1.66 109.026 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.4 tm? -60.51 -58.34 8.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 1.54 110.821 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.538 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 50.9 p-90 -75.16 -38.09 61.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.015 -1.053 . . . . 1.16 112.021 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 18.8 tt0 -51.63 -40.13 59.35 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.323 -1.486 . . . . 2.34 107.505 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' HD12 ' A' ' 25' ' ' ILE . 80.4 t80 -62.25 -46.58 88.18 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.79 -0.764 . . . . 0.86 109.729 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.56 -39.59 88.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 1.52 108.346 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.23 -49.77 76.29 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.84 -1.163 . . . . 1.91 110.789 -178.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.94 -36.32 79.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.296 -1.503 . . . . 2.46 109.286 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -40.69 76.3 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.19 -1.041 . . . . 1.54 108.19 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.6 tp -51.16 -49.78 60.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.193 -0.942 . . . . 1.45 111.304 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.2 p -87.74 56.58 3.96 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.539 -1.35 . . . . 1.68 111.174 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -112.49 130.25 56.06 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.305 -0.998 . . . . 3.08 108.305 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -28.35 68.58 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.317 -0.864 . . . . 3.33 110.636 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.41 -7.03 47.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 2.66 109.628 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.604 ' O ' HG22 ' A' ' 44' ' ' ILE . 62.8 m -58.33 -47.31 84.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.919 -1.113 . . . . 2.22 110.72 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.49 -23.63 10.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.536 -1.353 . . . . 3.09 110.267 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 t -73.29 -43.46 60.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.953 -1.092 . . . . 2.41 111.935 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.72 15.08 15.43 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 120.792 -1.193 . . . . 1.56 111.504 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 40' ' ' CYS . 15.0 tt -164.46 -174.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.764 -1.21 . . . . 1.14 109.269 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.513 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 47.2 t -127.86 129.18 46.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.27 1.033 . . . . 1.71 110.846 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.428 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -114.43 112.07 22.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 106.981 -1.488 . . . . 1.46 106.981 179.171 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' TRP . 65.8 p -58.11 -158.84 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.007 -1.058 . . . . 2.04 110.629 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -60.46 -135.27 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.264 -0.898 . . . . 1.95 111.047 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -106.12 13.7 28.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -1.014 . . . . 3.56 110.408 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.61 -114.78 0.39 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.497 -1.841 . . . . 1.32 108.497 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -155.34 35.44 0.37 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.059 -1.259 . . . . 1.06 109.025 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -98.29 96.72 8.25 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.473 -1.306 . . . . 2.5 107.473 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 102' ' ' TYR . 49.1 t80 -108.65 129.57 55.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.702 -0.624 . . . . 0.82 109.813 -177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 138.35 53.64 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 121.817 0.818 . . . . 2.34 110.188 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 55' ' ' LEU . 9.4 mp -90.13 97.05 10.96 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 116.025 -0.534 . . . . 1.3 109.734 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -80.7 -54.1 5.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 1.6 110.18 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.6 m-20 -134.11 77.43 61.51 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.295 -0.878 . . . . 2.54 110.412 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -72.17 38.54 0.37 Allowed 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.16 1.24 . . . . 1.09 109.235 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 57' ' ' ASP . 94.6 m-20 -68.02 -42.98 79.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.012 -1.055 . . . . 2.89 110.543 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -80.41 -35.22 35.46 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.151 -0.968 . . . . 3.15 109.001 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.5 t -67.09 -40.3 85.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.739 -0.601 . . . . 0.8 110.121 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.56 97.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.84 109.526 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -61.23 -41.84 97.56 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.211 -0.996 . . . . 3.69 108.521 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -68.46 -39.96 81.23 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.112 -0.992 . . . . 3.46 109.73 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -62.24 -37.55 85.86 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.303 -0.999 . . . . 1.08 108.303 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.28 -32.53 80.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.161 -1.576 . . . . 1.09 109.161 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.75 -22.21 64.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.324 -1.104 . . . . 2.71 110.023 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -57.78 -43.69 85.73 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.355 -0.84 . . . . 3.88 109.535 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -98.55 23.49 8.52 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.685 -0.634 . . . . 2.56 109.675 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.8 m120 56.91 50.33 12.46 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.566 -0.709 . . . . 3.49 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -120.42 149.47 49.91 Favored Pre-proline 0 N--CA 1.504 2.25 0 N-CA-C 108.456 -0.942 . . . . 2.35 108.456 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.4 -83.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.726 0 N-CA-C 109.125 -1.144 . . . . 2.96 109.125 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -136.02 140.21 43.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.403 -0.81 . . . . 5.24 109.139 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -130.87 151.94 50.74 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.912 -0.773 . . . . 2.41 108.912 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -70.03 162.4 28.23 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.339 -0.851 . . . . 1.48 111.187 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.575 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 88.3 t80 -76.37 -16.58 59.7 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.915 -1.143 . . . . 1.07 107.915 178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' O ' ' OG ' ' A' ' 80' ' ' SER . 41.8 tp10 -58.21 -30.1 66.22 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.752 -0.833 . . . . 2.53 108.752 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 51.8 pttt -59.89 -36.05 76.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 4.23 109.538 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.0 mt -67.57 -36.72 81.46 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.991 -0.684 . . . . 1.17 109.323 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 77' ' ' GLU . 71.6 p -61.21 -36.91 81.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.104 -0.998 . . . . 1.39 109.835 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.541 ' O ' ' NH1' ' A' ' 84' ' ' ARG . 19.4 mmt180 -83.12 -31.14 27.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.957 -1.089 . . . . 4.74 109.689 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.9 -40.92 6.91 Favored Glycine 0 N--CA 1.495 2.633 0 O-C-N 120.85 -1.156 . . . . 0.8 110.881 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.63 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -69.93 -42.81 72.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.822 -1.399 . . . . 1.57 110.902 -178.442 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.608 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -59.97 -36.98 78.3 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.002 -1.686 . . . . 2.34 109.42 -178.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -69.82 -11.98 61.28 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.363 -0.836 . . . . 1.39 109.376 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.498 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.9 t80 -75.6 1.13 15.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.849 . . . . 1.27 110.186 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.524 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.7 m-85 -67.22 3.8 1.11 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.961 -1.087 . . . . 1.65 109.122 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 86' ' ' TYR . 79.8 m-20 -68.36 -33.0 73.49 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.99 -1.069 . . . . 2.74 108.368 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -116.61 134.05 55.29 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.071 -1.085 . . . . 2.52 108.071 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 31.5 p-10 -80.23 88.9 5.46 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.053 -1.03 . . . . 2.8 109.102 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.5 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -136.63 -48.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.124 -1.436 . . . . 1.28 107.124 179.509 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.499 HD12 ' CE2' ' A' ' 104' ' ' PHE . 10.4 tt -133.49 128.07 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 1.09 109.489 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -122.77 137.69 54.85 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.717 0.77 . . . . 1.79 109.039 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 3.5 ttmp? -74.97 140.09 43.41 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.602 -0.888 . . . . 2.83 108.602 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.9 m -88.85 131.67 34.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 1.24 109.636 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.11 33.13 0.49 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.046 -1.034 . . . . 2.47 109.323 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.6 -72.49 1.24 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.679 -1.769 . . . . 2.32 108.679 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -111.62 -119.81 0.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.623 -0.928 . . . . 3.6 108.94 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.535 ' CG ' HH11 ' A' ' 99' ' ' ARG . 0.5 OUTLIER -131.95 -39.52 1.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.266 -0.896 . . . . 5.66 110.688 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -102.65 26.76 7.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.232 -0.918 . . . . 1.27 110.05 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 101' ' ' VAL . 6.0 m -90.39 120.53 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 CA-C-O 122.231 1.015 . . . . 1.14 110.679 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.575 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 5.4 m-85 -113.56 135.29 54.06 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.393 -0.966 . . . . 1.23 108.393 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -146.78 158.92 44.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.129 -0.982 . . . . 2.9 108.523 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.499 ' CE2' HD12 ' A' ' 92' ' ' ILE . 48.6 m-85 -118.73 155.03 31.81 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.339 0.59 . . . . 1.16 109.909 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.948 -1.025 . . . . 1.98 109.101 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 11.6 tt . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 107.855 -1.165 . . . . 2.8 107.855 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.564 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -76.59 140.28 40.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.554 -1.341 . . . . 1.66 108.31 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.3 tt -62.46 -53.62 52.21 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.418 0.896 . . . . 1.54 113.418 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.5 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.7 p-90 -76.54 -34.11 58.53 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.557 -1.34 . . . . 1.16 111.605 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -59.98 -39.23 84.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 2.34 108.266 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -73.19 -50.61 21.55 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.8 . . . . 0.86 109.185 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.07 -42.66 95.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.06 -1.025 . . . . 1.52 109.478 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.07 -43.63 98.43 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.077 -1.015 . . . . 1.91 109.413 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.16 -44.35 95.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.161 -0.962 . . . . 2.46 109.457 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.68 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.6 tm? -69.31 -42.91 74.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.252 -0.905 . . . . 1.54 110.017 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 53' ' ' PHE . 8.6 tt -61.21 -33.69 73.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.328 -0.857 . . . . 1.45 110.626 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.0 p -103.33 8.98 38.17 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.868 -1.145 . . . . 1.68 111.939 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -107.61 -73.09 0.7 Allowed 'General case' 0 N--CA 1.508 2.472 0 O-C-N 120.799 -1.188 . . . . 3.08 111.241 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.78 159.73 1.57 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.108 -0.995 . . . . 3.33 109.512 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.536 ' OG ' ' N ' ' A' ' 40' ' ' CYS . 19.2 t -67.25 -132.15 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.076 -1.083 . . . . 2.66 108.076 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.536 ' N ' ' OG ' ' A' ' 39' ' ' SER . 24.5 p -171.42 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.933 -1.105 . . . . 2.22 110.181 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -71.68 63.56 0.43 Allowed 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.33 -0.856 . . . . 3.09 109.613 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' CYS . 45.4 t -163.16 -49.8 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.933 -0.765 . . . . 2.41 108.933 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -126.84 -0.11 6.66 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 1.56 110.321 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.5 ' CG1' ' H ' ' A' ' 45' ' ' SER . 10.3 tt -162.58 -176.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.643 -1.286 . . . . 1.14 110.167 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.5 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 78.6 p -130.98 126.66 36.59 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.771 -1.205 . . . . 1.71 110.553 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.52 110.39 19.18 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.339 -1.356 . . . . 1.46 107.339 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -62.66 152.02 36.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.693 -1.254 . . . . 2.04 109.693 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.04 30.4 9.4 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.988 -1.245 . . . . 1.95 109.988 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -108.01 -108.38 0.32 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.251 -1.147 . . . . 3.56 109.434 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.27 -104.46 0.43 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.92 -1.672 . . . . 1.32 108.92 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -139.2 58.03 1.64 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.464 -1.021 . . . . 1.06 108.854 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -100.55 121.27 41.3 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.261 -1.014 . . . . 2.5 108.261 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.469 ' CD2' HD11 ' A' ' 35' ' ' LEU . 54.0 t80 -118.27 125.65 50.53 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.588 -0.695 . . . . 0.82 110.497 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' C ' HD12 ' A' ' 55' ' ' LEU . 8.9 mtmp? -116.85 137.72 52.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.463 -0.773 . . . . 2.34 111.049 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.3 mp -97.58 103.2 15.12 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.586 -0.696 . . . . 1.3 110.061 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -78.76 -66.06 0.91 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 1.6 109.836 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -144.22 81.65 11.32 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.552 -0.718 . . . . 2.54 109.798 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.96 55.04 5.13 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 121.371 1.38 . . . . 1.09 109.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.74 -39.37 70.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.194 . . . . 2.89 110.0 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.62 -40.39 61.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.834 -1.166 . . . . 3.15 109.054 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -63.98 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.637 -0.664 . . . . 0.8 110.099 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.86 95.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.967 -1.083 . . . . 0.84 109.554 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.15 -43.94 95.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.969 -1.082 . . . . 3.69 109.514 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 9.1 mpt_? -66.76 -39.69 87.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.109 -0.995 . . . . 3.46 109.613 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -59.31 -42.32 91.1 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.274 -0.891 . . . . 1.08 110.149 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.35 -23.17 77.62 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.695 -1.241 . . . . 1.09 110.113 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -66.31 -44.05 84.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -1.199 . . . . 2.71 110.086 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' CA ' ' HE ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.48 -15.73 58.61 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.141 -0.975 . . . . 3.88 110.037 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -92.75 9.08 36.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.202 -0.936 . . . . 2.56 109.11 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 58.74 35.91 24.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 3.49 109.296 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' PRO . 32.2 mtmm -143.67 155.04 60.12 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.495 -0.753 . . . . 2.35 109.272 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.4 Cg_exo -53.28 -157.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.899 0 C-N-CA 121.811 1.674 . . . . 2.96 110.649 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -87.69 140.88 29.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 5.24 109.378 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.6 mtp -122.89 160.86 25.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.794 -0.817 . . . . 2.41 108.794 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.445 ' CG ' ' HZ3' ' A' ' 78' ' ' LYS . 46.9 p30 -64.9 163.96 13.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.909 -1.119 . . . . 1.48 110.074 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.582 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 53.3 t80 -67.06 -12.56 60.27 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.668 -0.645 . . . . 1.07 110.154 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' OE1' ' ND2' ' A' ' 75' ' ' ASN . 94.8 mt-10 -59.26 -36.94 76.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.188 -0.945 . . . . 2.53 110.309 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HZ3' ' CG ' ' A' ' 75' ' ' ASN . 12.6 mptt -57.52 -36.0 70.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.839 -1.163 . . . . 4.23 109.038 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.39 -41.97 79.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.928 . . . . 1.17 109.374 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -69.31 -35.09 75.62 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.99 -1.069 . . . . 1.39 108.594 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -78.04 -43.07 30.38 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.499 -0.75 . . . . 4.74 111.467 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.32 -42.64 8.46 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.761 -1.212 . . . . 0.8 111.156 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.761 ' O ' HD23 ' A' ' 83' ' ' LEU . 4.8 tt -66.75 -41.36 87.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.038 -1.272 . . . . 1.57 110.495 -178.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -53.74 -33.91 57.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.476 -1.39 . . . . 2.34 109.505 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -77.03 -7.42 55.63 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 1.39 109.757 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.495 ' CE2' HD22 ' A' ' 27' ' ' LEU . 3.1 t80 -72.99 6.35 2.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 1.27 110.161 -177.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.9 m-85 -69.75 8.91 0.59 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.896 -1.127 . . . . 1.65 109.407 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 86' ' ' TYR . 76.7 m-20 -70.36 -39.98 74.3 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.725 -1.213 . . . . 2.74 107.725 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -110.14 133.18 53.48 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.056 -1.09 . . . . 2.52 108.056 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -78.02 89.9 4.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.933 -1.104 . . . . 2.8 108.828 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -138.27 -44.9 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.719 -0.845 . . . . 1.28 108.719 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 83' ' ' LEU . 5.8 tt -137.41 137.24 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.238 -0.914 . . . . 1.09 109.497 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 14.7 m-70 -131.93 163.94 27.24 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 109.071 -0.715 . . . . 1.79 109.071 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -100.04 139.56 35.54 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.16 -0.963 . . . . 2.83 109.14 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -89.81 132.0 35.47 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.83 -1.169 . . . . 1.24 109.345 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.37 32.61 0.45 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.242 -0.911 . . . . 2.47 109.328 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.07 -76.26 0.96 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.92 -1.672 . . . . 2.32 108.92 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -110.27 -117.87 0.29 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.635 -0.921 . . . . 3.6 108.528 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -134.26 -31.41 1.11 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.02 -1.05 . . . . 5.66 110.176 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -104.67 24.4 11.82 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.223 -0.923 . . . . 1.27 109.398 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.99 124.05 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.939 -1.101 . . . . 1.14 110.459 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 12.3 m-85 -120.24 149.18 42.68 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 108.586 -0.894 . . . . 1.23 108.586 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -151.24 158.71 44.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.038 -1.039 . . . . 2.9 109.993 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' A' ' 92' ' ' ILE . 19.1 m-85 -129.23 158.23 39.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.528 -0.732 . . . . 1.16 109.925 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.498 1.969 0 CA-C-O 117.956 -1.021 . . . . 1.98 109.393 -179.635 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.585 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 6.6 tt . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 108.015 -1.106 . . . . 2.8 108.015 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.585 ' H ' ' CG1' ' A' ' 25' ' ' ILE . 4.4 tm0? -79.05 157.35 28.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.637 -1.289 . . . . 1.66 109.054 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.57 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -70.15 -66.08 0.64 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.136 -0.978 . . . . 1.54 111.432 -178.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 53.6 p-90 -68.46 -29.85 68.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.769 -1.207 . . . . 1.16 111.878 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.221 -1.549 . . . . 2.34 107.417 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CZ ' ' NH1' ' A' ' 64' ' ' ARG . 31.9 t80 -69.3 -54.52 14.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.583 0.706 . . . . 0.86 109.843 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.17 -43.41 95.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 1.52 109.301 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.83 -43.43 93.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 1.91 109.644 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -61.62 -42.68 99.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.105 -0.997 . . . . 2.46 109.185 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.97 -40.16 83.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.398 -0.814 . . . . 1.54 109.308 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.457 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 5.6 mp -59.72 -43.78 94.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.966 -1.084 . . . . 1.45 108.578 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -94.56 63.28 2.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.316 -0.865 . . . . 1.68 109.701 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 55.4 t0 -131.94 -135.62 0.19 Allowed 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.409 -0.96 . . . . 3.08 108.409 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.522 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -62.47 -165.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.255 -0.903 . . . . 3.33 108.778 179.635 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.601 ' C ' ' H ' ' A' ' 41' ' ' GLN . 71.0 m -67.7 -44.75 76.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.677 -1.264 . . . . 2.66 110.957 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 44' ' ' ILE . 24.2 t 58.34 -1.34 0.1 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.203 -0.936 . . . . 2.22 108.898 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.601 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.9 tt0 -60.09 -37.78 80.96 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.511 -0.743 . . . . 3.09 110.641 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -78.39 -12.95 60.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 2.41 110.046 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -110.06 -11.39 14.63 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.402 -0.811 . . . . 1.56 109.863 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.62 HD11 ' HG ' ' A' ' 55' ' ' LEU . 8.3 tt -162.3 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.051 -1.031 . . . . 1.14 108.819 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.428 ' H ' HG12 ' A' ' 44' ' ' ILE . 8.9 p -115.67 103.67 10.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.197 -0.939 . . . . 1.71 110.227 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -102.92 109.77 21.45 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.288 -1.745 . . . . 1.46 106.288 178.144 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -67.75 150.95 48.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.867 -1.146 . . . . 2.04 109.61 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.2 39.4 2.88 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.149 -1.58 . . . . 1.95 109.149 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -109.62 -114.32 0.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.373 -0.973 . . . . 3.56 108.373 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.47 -98.28 0.64 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.319 -1.512 . . . . 1.32 109.319 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.424 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 66.3 t-105 -139.76 57.85 1.62 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.375 -1.074 . . . . 1.06 108.773 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -104.01 113.21 26.58 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.611 -0.885 . . . . 2.5 108.611 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 52.7 t80 -107.42 124.96 50.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.706 -0.621 . . . . 0.82 109.401 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -119.63 130.54 55.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.64 -0.662 . . . . 2.34 109.564 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 44' ' ' ILE . 8.8 mp -88.73 94.85 10.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 1.3 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 m -78.06 -58.89 3.02 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.408 -0.808 . . . . 1.6 111.368 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -140.14 78.27 23.97 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.161 -0.962 . . . . 2.54 110.901 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -75.05 57.18 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 N-CA-C 108.513 -1.38 . . . . 1.09 108.513 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.64 -49.47 53.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.005 -1.06 . . . . 2.89 109.772 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.41 -34.68 54.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 3.15 108.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.29 -46.48 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.406 0.622 . . . . 0.8 109.593 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -52.54 64.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.411 -0.806 . . . . 0.84 109.573 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.497 HH11 ' HG2' ' A' ' 63' ' ' ARG . 44.2 mtt-85 -66.07 -42.54 89.26 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.66 -0.65 . . . . 3.69 110.873 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' NH1' ' CZ ' ' A' ' 30' ' ' PHE . 6.2 tmm_? -62.91 -42.34 99.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.023 -1.048 . . . . 3.46 110.304 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.429 ' HZ2' HD21 ' A' ' 27' ' ' LEU . 14.8 t-105 -50.53 -45.41 56.78 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.256 -0.902 . . . . 1.08 109.52 -178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.94 -18.6 57.71 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.34 -0.933 . . . . 1.09 111.146 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.24 -44.28 95.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.797 -1.413 . . . . 2.71 108.962 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -62.92 -21.37 65.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.149 -0.969 . . . . 3.88 108.386 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -101.05 12.09 38.32 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.489 -0.757 . . . . 2.56 109.931 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 57.16 53.92 7.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.612 -0.884 . . . . 3.49 108.612 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.26 83.13 22.39 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.324 -0.86 . . . . 2.35 109.09 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -55.0 -20.34 22.89 Favored 'Trans proline' 0 C--N 1.321 -0.906 0 C-N-CA 121.477 1.451 . . . . 2.96 110.084 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -102.86 118.35 36.64 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.326 -0.99 . . . . 5.24 108.326 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.5 mmt -129.53 85.77 2.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 2.41 110.053 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.574 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 22.8 t-20 -67.17 143.1 56.77 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.465 -0.939 . . . . 1.48 108.465 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.521 ' OH ' HD22 ' A' ' 55' ' ' LEU . 34.7 t80 -65.58 -29.68 70.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.983 -1.073 . . . . 1.07 109.389 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.574 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 51.1 tt0 -59.58 -35.16 73.74 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.12 -1.067 . . . . 2.53 108.12 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -54.91 -40.19 69.57 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 119.488 -0.885 . . . . 4.23 109.405 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.44 -38.3 77.77 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.207 -0.933 . . . . 1.17 108.646 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 80.8 p -63.59 -37.76 88.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.846 -1.159 . . . . 1.39 108.237 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.442 HH21 ' CD ' ' A' ' 77' ' ' GLU . 92.0 mtt180 -67.54 -40.32 85.01 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.115 -1.068 . . . . 4.74 108.115 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.14 -52.04 20.15 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.809 -1.716 . . . . 0.8 108.809 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 102' ' ' TYR . 2.9 mt -67.2 -32.25 73.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -1.125 . . . . 1.57 109.624 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.603 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -48.2 -49.62 32.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.99 . . . . 2.34 108.929 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -79.99 -23.47 41.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.567 -0.708 . . . . 1.39 111.2 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -74.53 68.1 1.57 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 1.27 110.42 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.468 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 17.5 m-85 -136.06 12.77 3.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.29 -1.004 . . . . 1.65 108.29 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.73 -32.48 65.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.384 -0.823 . . . . 2.74 109.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 91' ' ' ILE . 57.8 mtpt -106.63 141.72 37.44 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.641 -0.874 . . . . 2.52 108.641 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.805 HD22 ' H ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -76.12 89.27 3.04 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.952 -1.129 . . . . 2.8 107.952 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.994 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -132.86 -85.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 115.852 -0.613 . . . . 1.28 110.27 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.994 ' H ' HG23 ' A' ' 91' ' ' ILE . 10.4 tt -107.03 135.57 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.291 -0.881 . . . . 1.09 110.063 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -130.26 156.99 43.73 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.486 -0.931 . . . . 1.79 108.486 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.468 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 40.8 mttp -82.94 140.03 33.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.273 -0.892 . . . . 2.83 109.725 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.1 m -94.87 131.31 40.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.341 -0.849 . . . . 1.24 109.106 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.43 28.3 0.15 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.077 -1.014 . . . . 2.47 110.1 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -76.9 -80.96 0.61 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.917 -1.273 . . . . 2.32 109.917 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.431 ' H ' HG21 ' A' ' 101' ' ' VAL . 21.4 tptp -106.13 -115.44 0.25 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.291 -1.123 . . . . 3.6 108.576 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -131.32 -39.65 1.15 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.303 -0.873 . . . . 5.66 109.437 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.79 29.43 5.81 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.571 -0.706 . . . . 1.27 109.755 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.431 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.4 m -91.2 128.17 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -0.949 . . . . 1.14 110.232 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.456 ' CE1' HD13 ' A' ' 83' ' ' LEU . 14.8 m-85 -129.23 151.61 49.71 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.323 -0.861 . . . . 1.23 109.723 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -148.82 162.33 40.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 2.9 109.021 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 16.7 m-85 -130.05 159.83 35.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.435 -0.791 . . . . 1.16 109.115 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 117.934 -1.031 . . . . 1.98 109.823 -179.254 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 26' ' ' GLN . 33.4 mt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 109.128 -0.693 . . . . 2.8 109.128 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.589 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.1 tm0? -86.36 144.76 27.18 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.052 -1.462 . . . . 1.66 107.052 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.7 tt -56.6 -51.49 68.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.002 -1.062 . . . . 1.54 112.154 -177.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.546 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.8 p-90 -77.01 -35.36 57.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.591 -1.318 . . . . 1.16 111.218 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -58.24 -40.16 80.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.229 -1.545 . . . . 2.34 106.987 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.42 -52.43 32.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.771 -0.581 . . . . 0.86 110.54 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.5 tp -64.46 -41.01 96.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.158 -0.964 . . . . 1.52 109.866 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.43 -40.42 95.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.892 -1.13 . . . . 1.91 109.365 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -58.32 -47.45 83.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.634 -1.291 . . . . 2.46 108.805 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.8 tp -68.21 -30.3 69.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 1.54 109.504 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.553 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 12.2 tp -50.7 -44.01 57.93 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.551 -0.718 . . . . 1.45 110.048 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.07 76.22 1.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.881 -1.137 . . . . 1.68 111.29 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -124.79 -63.56 1.16 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.019 -0.734 . . . . 3.08 109.019 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' NZ ' ' CD2' ' A' ' 43' ' ' PHE . 41.6 pttt -103.51 -160.54 0.78 Allowed 'General case' 0 N--CA 1.508 2.446 0 O-C-N 121.276 -0.89 . . . . 3.33 110.874 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -69.03 -38.66 79.29 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.337 -0.852 . . . . 2.66 109.466 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.7 m 54.5 27.41 8.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.528 -0.733 . . . . 2.22 109.786 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -96.89 -44.36 7.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.379 -0.825 . . . . 3.09 109.972 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.463 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p -78.48 -15.18 58.89 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.261 -0.899 . . . . 2.41 110.913 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 87.9 m-85 -111.46 -15.1 13.61 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.197 -0.939 . . . . 1.56 110.186 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG1' ' H ' ' A' ' 45' ' ' SER . 13.9 tt -168.5 -176.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 108.079 -1.082 . . . . 1.14 108.079 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.424 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 34.0 m -122.88 123.91 42.04 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.94 -1.1 . . . . 1.71 110.564 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.553 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -112.45 109.73 19.5 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 107.523 -1.288 . . . . 1.46 107.523 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -63.12 145.5 55.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.501 -1.375 . . . . 2.04 109.417 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.84 37.07 4.0 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 109.882 -1.287 . . . . 1.95 109.882 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -117.43 -102.78 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.407 -1.055 . . . . 3.56 110.153 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.86 -108.09 0.84 Allowed Glycine 0 N--CA 1.496 2.645 0 N-CA-C 108.943 -1.663 . . . . 1.32 108.943 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -138.61 85.01 2.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.43 -1.041 . . . . 1.06 108.669 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -131.22 131.13 43.73 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.807 -0.812 . . . . 2.5 108.807 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.459 ' O ' ' O ' ' A' ' 102' ' ' TYR . 37.4 t80 -129.58 129.7 44.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.82 109.275 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -126.6 136.28 52.33 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.243 -0.911 . . . . 2.34 109.305 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.4 mp -91.4 100.36 13.16 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 121.375 0.607 . . . . 1.3 110.482 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -78.66 -58.81 3.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.927 . . . . 1.6 110.093 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -139.64 77.32 28.27 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.022 -1.048 . . . . 2.54 110.82 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -74.52 42.14 0.76 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.444 1.429 . . . . 1.09 110.464 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.77 -44.1 74.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.685 -1.259 . . . . 2.89 109.212 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -71.27 -43.16 67.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.223 -0.923 . . . . 3.15 108.68 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' TRP . 38.0 t -67.55 -47.61 79.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.78 -0.575 . . . . 0.8 109.885 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.06 83.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.107 . . . . 0.84 109.06 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.03 -43.18 99.39 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.774 -1.204 . . . . 3.69 107.903 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.663 ' HE ' ' NH2' ' A' ' 68' ' ' ARG . 69.1 ttt180 -65.85 -39.37 90.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 3.46 109.125 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' VAL . 54.5 t-105 -58.82 -41.07 85.98 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.606 0.717 . . . . 1.08 109.095 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.89 -13.5 71.98 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.828 -1.309 . . . . 1.09 109.828 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.58 -40.74 96.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.155 -1.203 . . . . 2.71 109.145 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.663 ' NH2' ' HE ' ' A' ' 64' ' ' ARG . 11.2 mpt_? -60.53 -31.22 70.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.865 . . . . 3.88 109.548 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -88.79 1.11 55.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.949 -1.094 . . . . 2.56 108.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 60.91 27.98 17.79 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.835 -0.541 . . . . 3.49 111.648 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.57 160.0 30.49 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 120.973 -1.079 . . . . 2.35 108.646 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.515 ' O ' ' SD ' ' A' ' 74' ' ' MET . 4.0 Cg_endo -61.98 -153.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.212 -0.821 0 N-CA-C 108.361 -1.438 . . . . 2.96 108.361 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -92.47 126.63 37.64 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.939 -1.134 . . . . 5.24 107.939 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 72' ' ' PRO . 4.4 mpp? -115.87 159.96 20.82 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 109.032 -0.729 . . . . 2.41 109.032 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 p30 -69.38 156.34 38.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.257 -0.902 . . . . 1.48 110.532 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.566 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 81.9 t80 -69.39 -17.35 63.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 1.07 110.071 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -53.67 -35.86 61.52 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.269 -0.894 . . . . 2.53 110.156 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -57.67 -35.53 70.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.149 -0.969 . . . . 4.23 109.579 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.35 -46.4 76.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.982 -1.074 . . . . 1.17 109.096 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -60.86 -39.84 90.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.816 -1.177 . . . . 1.39 108.152 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' O ' ' CZ ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -75.49 -44.11 45.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.415 -0.803 . . . . 4.74 109.637 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.12 -47.37 59.67 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.789 -0.924 . . . . 0.8 110.789 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 92' ' ' ILE . 1.6 tp -62.26 -35.34 78.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.952 -1.322 . . . . 1.57 108.898 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -52.45 -43.82 65.15 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.292 -0.88 . . . . 2.34 109.554 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.42 ' HB2' HH12 ' A' ' 81' ' ' ARG . 54.3 t80 -71.58 -17.01 62.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.39 109.154 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.5 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 12.1 t80 -77.2 14.82 0.83 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.437 -0.789 . . . . 1.27 110.923 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.562 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.4 m-85 -87.25 18.36 3.78 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.988 -1.07 . . . . 1.65 108.956 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.59 -29.58 61.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.96 -1.087 . . . . 2.74 108.31 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -111.76 139.89 46.85 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.394 -0.965 . . . . 2.52 108.394 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -76.51 90.59 3.3 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.93 -1.106 . . . . 2.8 108.622 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.958 HG23 ' H ' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -138.02 -89.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 115.741 -0.663 . . . . 1.28 109.606 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.958 ' H ' HG23 ' A' ' 91' ' ' ILE . 9.3 tt -98.28 133.72 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.18 -0.95 . . . . 1.09 111.238 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -128.77 152.3 48.6 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.964 -0.754 . . . . 1.79 108.964 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.562 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 3.0 pptp? -103.84 147.73 26.96 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.994 -1.067 . . . . 2.83 110.076 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 97' ' ' GLY . 89.9 m -88.64 132.08 34.71 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.952 -0.758 . . . . 1.24 108.952 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.99 16.17 3.01 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.276 -0.89 . . . . 2.47 110.863 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.693 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.18 -38.39 29.8 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 119.539 -1.315 . . . . 2.32 109.957 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -127.34 -134.32 0.24 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.361 -1.082 . . . . 3.6 108.161 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 -30.41 0.91 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.82 -1.175 . . . . 5.66 109.886 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -106.15 21.78 16.79 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.13 -0.982 . . . . 1.27 110.159 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 101' ' ' VAL . 7.3 m -91.43 120.09 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.046 -1.034 . . . . 1.14 110.218 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 7.8 m-85 -119.08 150.41 40.03 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 109.134 -0.691 . . . . 1.23 109.134 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -158.75 169.15 25.02 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 120.889 -1.132 . . . . 2.9 109.694 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 31.3 m-85 -130.87 163.75 26.73 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.793 -0.567 . . . . 1.16 109.791 -178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 117.945 -1.026 . . . . 1.98 109.396 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.7 mm . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 109.263 -0.643 . . . . 2.8 109.263 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.555 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 5.9 tm0? -89.75 159.37 17.09 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.773 -0.825 . . . . 1.66 108.773 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 27' ' ' LEU . 5.0 tt -65.91 -67.24 0.46 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.2 -0.937 . . . . 1.54 111.773 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.6 p-90 -71.04 -38.86 72.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.11 -0.993 . . . . 1.16 112.085 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -50.08 62.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.409 -1.432 . . . . 2.34 108.12 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -64.04 -51.64 63.18 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.638 -0.664 . . . . 0.86 110.507 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.64 -40.15 90.89 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.191 -0.943 . . . . 1.52 108.611 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -67.87 -41.12 83.32 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.994 -0.743 . . . . 1.91 108.994 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -62.31 -39.68 93.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.064 -1.023 . . . . 2.46 109.342 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 44.1 tp -58.04 -34.11 69.73 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.847 0.832 . . . . 1.54 109.32 -179.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' CA ' ' HE1' ' A' ' 46' ' ' TRP . 5.9 mp -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.483 -0.761 . . . . 1.45 111.615 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.4 p -95.63 -3.16 46.76 Favored 'General case' 0 N--CA 1.511 2.58 0 O-C-N 120.648 -1.283 . . . . 1.68 113.097 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.624 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 43.3 p30 -101.69 -96.33 0.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.767 -1.208 . . . . 3.08 109.246 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.624 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 4.3 tmmm? -55.24 148.31 14.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.57 -1.331 . . . . 3.33 108.677 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.8 t -66.25 -43.23 87.13 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.923 -1.11 . . . . 2.66 110.691 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 71.24 -4.66 1.75 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.673 -0.642 . . . . 2.22 110.059 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -56.24 -39.24 72.25 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.903 -1.123 . . . . 3.09 109.713 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.9 t -83.28 -14.61 52.73 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.601 -0.687 . . . . 2.41 109.872 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -109.64 -10.22 14.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 1.56 109.858 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 tt -165.92 -170.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.997 -1.112 . . . . 1.14 107.997 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.478 ' N ' HG23 ' A' ' 44' ' ' ILE . 75.2 m -114.39 81.03 1.48 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.16 -0.962 . . . . 1.71 110.642 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.514 ' HE1' ' CA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.25 94.76 9.34 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.58 -1.267 . . . . 1.46 107.58 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -64.65 142.8 58.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.416 -1.427 . . . . 2.04 109.583 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.4 52.72 2.1 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 109.124 -1.59 . . . . 1.95 109.124 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 56.0 p30 -110.46 -121.64 0.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.665 -0.903 . . . . 3.56 108.916 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 49' ' ' ASP . . . -80.92 -95.67 0.41 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.155 -1.978 . . . . 1.32 108.155 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -145.92 78.82 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.95 -1.324 . . . . 1.06 109.62 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -129.61 130.0 45.07 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.813 -1.18 . . . . 2.5 107.813 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.538 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 44.0 t80 -119.36 128.48 54.12 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.755 -0.591 . . . . 0.82 109.678 -178.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -122.8 136.12 54.76 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.544 -0.723 . . . . 2.34 109.473 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -92.41 99.78 12.47 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.112 -0.993 . . . . 1.3 109.86 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.0 t -79.91 -59.15 2.84 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.957 -1.089 . . . . 1.6 109.534 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -148.8 79.85 8.4 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.52 -0.737 . . . . 2.54 110.4 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -74.38 49.4 2.04 Favored 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.282 1.321 . . . . 1.09 109.341 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.67 -40.35 76.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.524 -1.36 . . . . 2.89 110.164 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.12 -28.95 38.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.826 -1.171 . . . . 3.15 108.967 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.24 -38.18 80.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.816 -1.177 . . . . 0.8 108.286 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.33 85.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.727 -0.608 . . . . 0.84 110.177 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 64' ' ' ARG . 6.0 ppt_? -71.47 -35.56 70.89 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.682 -1.261 . . . . 3.69 109.736 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' C ' ' NE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -69.87 -42.84 72.96 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.234 -0.916 . . . . 3.46 108.87 179.603 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -58.41 -40.65 83.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.269 -0.895 . . . . 1.08 109.474 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.34 -22.49 60.47 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.95 -1.119 . . . . 1.09 110.328 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.47 -40.3 89.29 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -1.115 . . . . 2.71 109.643 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -27.07 65.66 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.077 -1.014 . . . . 3.88 109.967 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -96.95 12.41 32.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.371 -0.831 . . . . 2.56 109.349 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 56.35 58.49 4.22 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.409 0.623 . . . . 3.49 111.026 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.666 ' HZ3' ' CE ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -134.45 159.12 73.48 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 107.427 -1.323 . . . . 2.35 107.427 178.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.28 -87.32 0.0 OUTLIER 'Trans proline' 0 C--O 1.214 -0.714 0 C-N-CA 121.364 1.376 . . . . 2.96 109.893 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.87 159.5 41.68 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.207 -0.933 . . . . 5.24 109.814 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.666 ' CE ' ' HZ3' ' A' ' 71' ' ' LYS . 61.2 mtt -130.27 132.53 45.96 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.48 -0.763 . . . . 2.41 110.195 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.656 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -69.9 160.24 32.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.639 -1.245 . . . . 1.48 107.639 178.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.457 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 62.6 t80 -65.99 -28.24 68.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.883 -1.136 . . . . 1.07 110.797 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.656 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.4 mt-10 -59.97 -30.59 69.2 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.65 -1.282 . . . . 2.53 108.96 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -56.8 -38.51 72.66 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 118.808 -1.157 . . . . 4.23 108.857 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.44 -43.18 86.32 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.138 -1.06 . . . . 1.17 108.138 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.1 p -60.78 -36.36 78.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.041 -1.037 . . . . 1.39 108.733 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 81' ' ' ARG . 23.7 mtt-85 -60.35 -43.93 96.02 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.138 -0.976 . . . . 4.74 109.303 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.51 -45.69 9.48 Favored Glycine 0 N--CA 1.481 1.64 0 N-CA-C 109.871 -1.292 . . . . 0.8 109.871 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.74 -33.61 74.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -1.122 . . . . 1.57 112.632 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.682 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -59.77 -39.27 84.3 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.109 -1.619 . . . . 2.34 109.574 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.682 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 77.2 t80 -86.59 -16.97 35.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.624 -0.673 . . . . 1.39 110.272 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CE1' HD13 ' A' ' 27' ' ' LEU . 16.2 t80 -69.03 2.2 2.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.058 -1.026 . . . . 1.27 111.078 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -76.62 61.27 1.78 Allowed 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.254 -1.387 . . . . 1.65 107.254 177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -79.69 -53.95 6.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.103 -0.998 . . . . 2.74 110.669 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.41 ' NZ ' ' CB ' ' A' ' 89' ' ' LYS . 8.9 mtpm? -113.31 -98.58 0.43 Allowed 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.987 0.899 . . . . 2.52 109.192 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -162.0 84.39 0.59 Allowed 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.874 -1.158 . . . . 2.8 107.874 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -128.61 -51.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.796 -0.565 . . . . 1.28 109.702 -178.519 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.611 HD12 ' CE2' ' A' ' 104' ' ' PHE . 6.4 tt -134.28 128.26 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.749 -1.219 . . . . 1.09 109.428 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -128.79 138.96 52.37 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.277 -0.638 . . . . 1.79 109.277 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -76.82 152.56 35.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 2.83 109.961 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 97' ' ' GLY . 81.4 m -88.32 137.84 31.97 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.661 -0.866 . . . . 1.24 108.661 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.99 19.2 0.43 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.357 -0.84 . . . . 2.47 110.447 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 95' ' ' THR . . . -81.46 -87.12 0.66 Allowed Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.325 -1.51 . . . . 2.32 109.325 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.522 ' H ' HG21 ' A' ' 101' ' ' VAL . 56.5 mttp -104.42 -178.13 3.57 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.473 -1.016 . . . . 3.6 109.054 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -87.37 -12.69 45.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.987 -1.07 . . . . 5.66 110.955 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.22 5.66 30.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.117 -0.989 . . . . 1.27 110.77 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.522 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.3 m -91.06 123.77 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.625 -1.297 . . . . 1.14 111.372 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.457 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 25.7 m-85 -121.72 152.26 39.61 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.639 -0.874 . . . . 1.23 108.639 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -151.43 156.05 39.85 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.253 -1.017 . . . . 2.9 108.253 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.3 m-85 -118.01 144.49 45.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.465 -0.772 . . . . 1.16 109.169 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 118.113 -0.946 . . . . 1.98 109.491 -178.515 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 tt . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.737 -0.838 . . . . 2.8 108.737 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.605 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 9.3 tm0? -83.59 155.14 23.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 1.66 108.46 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.5 tt -55.52 -56.23 22.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.142 -0.974 . . . . 1.54 112.565 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.596 ' N ' HD23 ' A' ' 27' ' ' LEU . 53.2 p-90 -76.07 -30.25 58.28 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.359 -1.463 . . . . 1.16 111.115 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.64 -39.29 80.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.463 -1.398 . . . . 2.34 107.411 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -67.88 -49.86 59.66 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.416 0.626 . . . . 0.86 109.377 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.458 -0.776 . . . . 1.52 108.99 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -63.45 -47.92 79.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.52 -0.737 . . . . 1.91 110.197 -179.129 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -58.46 -43.25 88.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.708 -1.245 . . . . 2.46 109.933 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.76 -27.65 66.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.082 . . . . 1.54 108.759 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -59.54 -48.48 81.49 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 109.135 -0.691 . . . . 1.45 109.135 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -104.8 62.12 0.7 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.084 -1.01 . . . . 1.68 109.922 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -136.15 -120.61 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.453 -0.78 . . . . 3.08 109.243 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 39' ' ' SER . 6.2 ttpm? -55.48 163.61 1.22 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.174 -0.954 . . . . 3.33 108.92 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.484 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 16.8 t -60.45 -38.57 84.59 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.027 -1.101 . . . . 2.66 108.027 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.433 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 35.5 m 58.69 16.6 4.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.763 -0.829 . . . . 2.22 108.763 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 44' ' ' ILE . 6.0 tm0? -67.13 -41.19 86.54 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.594 -0.691 . . . . 3.09 110.67 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -73.81 -30.04 62.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.127 -0.983 . . . . 2.41 110.465 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -107.69 6.69 27.96 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.072 -1.017 . . . . 1.56 109.12 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.545 HG23 ' N ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -169.15 -175.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.534 -1.284 . . . . 1.14 107.534 -178.328 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.545 ' N ' HG23 ' A' ' 44' ' ' ILE . 43.0 t -129.95 104.91 7.64 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.195 -0.941 . . . . 1.71 109.276 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.443 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -94.24 127.71 40.26 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.704 -1.221 . . . . 1.46 107.704 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 49' ' ' ASP . 3.6 m -61.13 135.54 57.79 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.101 -0.999 . . . . 2.04 110.913 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.23 6.37 82.53 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.579 -1.408 . . . . 1.95 109.579 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' H ' HG22 ' A' ' 47' ' ' THR . 93.8 m-20 -126.44 -94.37 0.46 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.465 -1.021 . . . . 3.56 110.697 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.07 -117.5 0.7 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.48 -1.048 . . . . 1.32 110.48 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.408 ' N ' ' OE2' ' A' ' 52' ' ' GLU . 2.9 t90 -140.17 57.35 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.861 . . . . 1.06 109.102 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 47' ' ' THR . 2.1 mp0 -97.0 77.67 2.76 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 105.945 -1.872 . . . . 2.5 105.945 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -83.98 130.88 34.87 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.347 0.594 . . . . 0.82 110.198 -176.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -141.13 146.92 37.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.37 -0.974 . . . . 2.34 108.37 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 55' ' ' LEU . 9.5 mp -91.95 99.21 12.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.099 -1.001 . . . . 1.3 110.019 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.5 p -74.5 -49.37 22.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 1.6 110.86 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -139.75 76.98 28.28 Favored Pre-proline 0 N--CA 1.509 2.488 0 O-C-N 120.882 -1.136 . . . . 2.54 111.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -77.54 54.52 4.78 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.745 1.63 . . . . 1.09 109.738 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -71.58 -40.91 69.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.91 -1.119 . . . . 2.89 110.582 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -90.03 -32.96 16.52 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.834 -1.166 . . . . 3.15 109.661 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.02 -44.31 92.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.375 -0.972 . . . . 0.8 108.375 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.27 95.09 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.699 -0.852 . . . . 0.84 108.699 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -60.39 -43.61 96.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.006 -1.059 . . . . 3.69 109.098 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.42 ' NH2' ' CD ' ' A' ' 67' ' ' LYS . 3.1 mmp_? -68.88 -40.54 79.17 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.864 . . . . 3.46 110.576 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.403 ' CD1' ' NZ ' ' A' ' 69' ' ' LYS . 22.9 t-105 -66.06 -42.67 89.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.93 . . . . 1.08 109.616 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.78 -30.5 55.96 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.027 -1.229 . . . . 1.09 110.027 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' CD ' ' NH2' ' A' ' 64' ' ' ARG . 82.2 tttt -66.03 -40.14 90.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.127 -1.219 . . . . 2.71 110.361 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' A' ' 68' ' ' ARG . 0.3 OUTLIER -59.39 -10.48 3.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.857 -1.152 . . . . 3.88 109.135 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 58.9 mttp -93.12 9.07 37.49 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.117 -0.989 . . . . 2.56 110.416 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.1 m120 52.09 41.65 30.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.79 -1.194 . . . . 3.49 108.79 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 72' ' ' PRO . 4.6 mtpp -148.9 159.82 36.77 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.263 -0.898 . . . . 2.35 109.045 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 71' ' ' LYS . 5.6 Cg_exo -49.87 -175.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 121.192 1.261 . . . . 2.96 110.925 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -91.29 128.74 37.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.563 -0.71 . . . . 5.24 109.924 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 56.3 tpp -108.92 158.03 18.07 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 108.62 -0.882 . . . . 2.41 108.62 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -63.07 167.09 5.18 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 122.048 0.928 . . . . 1.48 111.95 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.474 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 63.3 t80 -63.99 -20.64 66.04 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.537 -0.542 . . . . 1.07 109.537 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.13 -27.54 46.04 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.088 -1.008 . . . . 2.53 108.59 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 40.3 pttt -59.36 -41.38 89.14 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.781 -0.822 . . . . 4.23 108.781 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.8 mt -68.58 -44.95 73.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.308 -0.87 . . . . 1.17 110.279 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 m -60.73 -44.17 96.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.857 -1.152 . . . . 1.39 110.088 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.558 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -63.65 -40.2 96.26 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.557 -0.714 . . . . 4.74 110.496 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.47 -44.65 6.1 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 119.694 -1.241 . . . . 0.8 110.645 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.687 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -60.14 -40.96 91.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -1.094 . . . . 1.57 109.676 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.729 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -61.09 -35.93 78.3 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.537 -1.352 . . . . 2.34 109.314 179.626 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.729 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 70.5 t80 -76.5 -9.09 58.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.222 -0.924 . . . . 1.39 109.702 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.4 t80 -73.89 11.94 0.78 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 1.27 110.856 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.508 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.4 m-85 -76.13 11.2 1.57 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.898 -1.126 . . . . 1.65 109.634 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -74.41 -33.98 63.15 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.702 -1.222 . . . . 2.74 107.702 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -108.58 137.05 47.17 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.399 -1.334 . . . . 2.52 107.399 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -76.72 90.02 3.41 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.013 -1.106 . . . . 2.8 108.013 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.98 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.2 tp -138.3 -84.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-N 116.157 -0.474 . . . . 1.28 110.434 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.98 ' H ' HG23 ' A' ' 91' ' ' ILE . 10.5 tt -98.44 132.63 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.837 -1.165 . . . . 1.09 110.781 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.508 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 12.7 m-70 -128.77 115.21 17.61 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.023 -1.103 . . . . 1.79 108.023 178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.507 ' H ' ' CD ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -80.68 174.87 11.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.006 -1.059 . . . . 2.83 110.018 -178.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.7 m -87.69 141.34 28.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.022 -1.049 . . . . 1.24 108.213 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.8 17.28 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 2.47 110.184 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.86 -123.54 0.69 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 109.309 -1.516 . . . . 2.32 109.309 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -142.36 -41.7 0.33 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.68 -0.894 . . . . 3.6 110.035 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.22 163.91 1.47 Allowed 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.773 0.796 . . . . 5.66 110.752 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -73.94 48.35 0.29 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.627 -0.671 . . . . 1.27 109.835 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.84 122.58 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.133 -0.979 . . . . 1.14 109.558 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.474 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 66.5 m-85 -119.29 153.98 34.21 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -149.75 158.07 43.82 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.631 -0.877 . . . . 2.9 108.631 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.622 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 28.8 m-85 -130.47 159.71 36.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 1.16 109.595 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.027 -0.987 . . . . 1.98 109.146 -179.384 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 108.875 -0.787 . . . . 2.8 108.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 1.3 tm0? -80.16 143.5 33.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.059 -1.026 . . . . 1.66 109.274 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.553 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.9 tt -59.88 -49.91 75.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 1.54 112.245 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 62.7 p-90 -82.87 -33.34 27.02 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.132 -1.605 . . . . 1.16 111.586 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -58.43 -37.84 76.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.151 -1.593 . . . . 2.34 107.824 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 68' ' ' ARG . 15.1 t80 -70.32 -56.02 7.75 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.616 -0.678 . . . . 0.86 109.667 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 31' ' ' LEU . 3.7 tt -58.59 -46.34 87.18 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.953 -1.092 . . . . 1.52 108.711 -178.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -59.83 -44.01 94.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.904 -1.123 . . . . 1.91 108.516 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -62.37 -41.18 98.42 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.681 -1.229 . . . . 2.46 107.681 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.406 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.77 -45.77 91.14 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.096 -1.446 . . . . 1.54 107.096 178.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 53' ' ' PHE . 12.0 tp -49.94 -41.71 46.93 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.236 -0.653 . . . . 1.45 109.236 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -97.35 60.46 1.63 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.311 -0.868 . . . . 1.68 110.022 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -119.08 -139.66 0.35 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.52 -0.737 . . . . 3.08 109.624 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.641 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 7.8 ttpt -56.82 -177.97 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.362 -0.836 . . . . 3.33 108.753 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.533 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 22.5 m -67.91 -34.2 76.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.042 -1.036 . . . . 2.66 108.873 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.641 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 64.2 m 56.11 17.36 2.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.562 -0.711 . . . . 2.22 109.814 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.11 -44.9 94.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.815 -1.178 . . . . 3.09 110.927 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -4.17 52.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.971 -1.081 . . . . 2.41 110.239 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 9.8 m-85 -118.28 -17.6 9.47 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.268 -0.895 . . . . 1.56 109.342 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 45' ' ' SER . 2.4 tt -163.79 -167.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 108.061 -1.089 . . . . 1.14 108.061 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.556 ' N ' HG23 ' A' ' 44' ' ' ILE . 18.0 m -128.1 122.05 31.11 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.891 -1.13 . . . . 1.71 110.444 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 108.06 15.52 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.541 -1.281 . . . . 1.46 107.541 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.1 p -70.06 159.43 33.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.847 -1.158 . . . . 2.04 109.891 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 52.99 0.67 Allowed Glycine 0 N--CA 1.497 2.703 0 N-CA-C 108.731 -1.748 . . . . 1.95 108.731 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -113.66 -149.69 0.45 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.64 -0.918 . . . . 3.56 109.121 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.69 -54.24 6.06 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.109 -1.596 . . . . 1.32 109.109 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -165.62 79.25 0.3 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.087 -1.243 . . . . 1.06 109.164 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.37 130.29 40.51 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.918 -0.771 . . . . 2.5 108.918 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.463 ' CG ' HD11 ' A' ' 35' ' ' LEU . 52.4 t80 -123.59 136.5 54.56 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.547 -0.72 . . . . 0.82 110.263 -178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -126.32 139.82 53.0 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.946 -0.761 . . . . 2.34 108.946 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -95.54 108.48 20.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.57 -0.706 . . . . 1.3 110.437 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -82.09 -65.76 0.97 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.936 -1.102 . . . . 1.6 109.286 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 59' ' ' ASP . 69.5 m-20 -147.26 72.35 12.0 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.103 -0.998 . . . . 2.54 110.757 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.93 64.44 0.22 Allowed 'Trans proline' 0 C--N 1.315 -1.198 0 C-N-CA 121.329 1.352 . . . . 1.09 110.449 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' ASP . 63.1 t0 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.729 -1.232 . . . . 2.89 110.474 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -80.51 -29.89 37.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 3.15 110.233 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.7 -44.12 79.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 0.8 110.508 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.23 82.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.026 -1.046 . . . . 0.84 109.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 9.3 mpt_? -67.01 -43.31 83.2 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.501 -0.749 . . . . 3.69 109.591 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -63.93 -40.09 95.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.914 -1.116 . . . . 3.46 109.555 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -60.57 -34.17 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.19 -0.944 . . . . 1.08 109.106 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.09 -29.87 59.92 Favored Glycine 0 N--CA 1.493 2.491 0 C-N-CA 120.463 -0.875 . . . . 1.09 111.064 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -66.34 -40.47 89.87 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.854 -1.38 . . . . 2.71 111.401 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 30' ' ' PHE . 35.5 ttm180 -58.73 -25.63 63.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.992 -1.068 . . . . 3.88 109.773 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' NZ ' ' CB ' ' A' ' 69' ' ' LYS . 6.7 mtpm? -91.82 9.96 30.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.399 -0.813 . . . . 2.56 109.161 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.5 m120 55.45 50.46 14.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 3.49 110.392 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 72' ' ' PRO . 57.5 mttp -138.85 151.67 68.85 Favored Pre-proline 0 N--CA 1.496 1.831 0 N-CA-C 108.87 -0.789 . . . . 2.35 108.87 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.3 Cg_exo -55.23 -166.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.067 0 N-CA-C 108.465 -1.398 . . . . 2.96 108.465 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -85.33 142.57 29.23 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.734 -1.229 . . . . 5.24 110.053 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mtp -131.85 163.96 27.12 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.819 0.819 . . . . 2.41 110.181 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -68.22 156.52 37.45 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.927 0.87 . . . . 1.48 111.293 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -61.27 -12.31 12.94 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.422 0.63 . . . . 1.07 109.603 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -58.12 -37.64 74.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.347 -0.846 . . . . 2.53 110.355 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.83 -33.51 68.7 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.91 -1.118 . . . . 4.23 109.937 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.8 mt -67.93 -46.38 71.66 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.366 -0.934 . . . . 1.17 108.484 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -67.23 -43.32 82.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.849 -1.157 . . . . 1.39 108.897 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.5 ' O ' ' CZ ' ' A' ' 84' ' ' ARG . 35.8 ttp180 -68.0 -40.34 83.03 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.582 0.706 . . . . 4.74 109.381 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.85 -44.31 5.78 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 121.014 -1.054 . . . . 0.8 111.314 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 79' ' ' LEU . 7.2 tt -64.88 -36.26 83.77 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.791 -1.417 . . . . 1.57 109.989 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.559 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -56.48 -44.41 80.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.666 -1.271 . . . . 2.34 109.158 -178.774 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.42 ' H ' ' HG3' ' A' ' 84' ' ' ARG . 66.0 t80 -61.09 -13.12 14.93 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.82 -1.175 . . . . 1.39 108.52 178.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' A' ' 88' ' ' ASP . 4.2 t80 -76.54 6.78 5.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.542 -0.724 . . . . 1.27 111.608 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 34.6 m-85 -80.27 20.91 0.64 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.132 -1.605 . . . . 1.65 108.26 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 86' ' ' TYR . 95.7 m-20 -72.49 -37.64 68.37 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.806 -1.183 . . . . 2.74 107.806 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -108.76 136.38 48.42 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.138 -1.431 . . . . 2.52 107.138 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -77.81 86.82 4.05 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.623 -1.231 . . . . 2.8 108.049 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -127.4 -44.31 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 CA-C-N 115.311 -0.859 . . . . 1.28 109.334 -178.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.65 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.3 tt -137.97 129.75 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.924 -1.11 . . . . 1.09 109.186 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -120.3 147.89 44.42 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 1.79 109.199 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -73.66 143.28 46.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.465 -0.772 . . . . 2.83 110.08 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -96.43 128.24 43.17 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.747 . . . . 1.24 109.409 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.68 47.13 1.46 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.724 -1.235 . . . . 2.47 108.669 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.81 -73.91 1.28 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.556 -1.018 . . . . 2.32 110.556 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.428 ' H ' HG21 ' A' ' 101' ' ' VAL . 59.9 tttp -111.83 -71.11 0.77 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.307 -1.114 . . . . 3.6 110.285 -178.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -170.97 -57.39 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.234 -0.916 . . . . 5.66 108.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.61 27.11 3.15 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.176 -0.675 . . . . 1.27 109.176 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.428 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.5 m -87.19 124.47 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.395 -0.815 . . . . 1.14 110.837 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -115.64 151.88 34.18 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.53 -0.731 . . . . 1.23 109.581 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 103' ' ' ARG . 38.6 ttt-85 -148.89 149.88 32.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.135 -0.978 . . . . 2.9 109.219 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CE2' HD12 ' A' ' 92' ' ' ILE . 17.0 m-85 -118.61 150.92 38.88 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.616 0.722 . . . . 1.16 110.416 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 105' ' ' VAL . 10.6 p . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.84 -1.076 . . . . 1.98 109.176 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 14.7 tt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.082 -0.71 . . . . 2.8 109.082 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.567 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.2 tm0? -86.87 152.52 22.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.214 -0.929 . . . . 1.66 108.919 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 27' ' ' LEU . 9.4 tt -56.07 -56.28 22.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 1.54 112.163 -178.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.545 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.6 p-90 -76.54 -31.7 57.77 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.132 -1.605 . . . . 1.16 110.645 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.38 -42.8 92.51 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 118.244 -1.383 . . . . 2.34 107.28 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -62.85 -54.08 44.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.449 -0.782 . . . . 0.86 109.216 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.37 -41.81 97.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 1.52 109.891 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.63 -46.52 87.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.959 . . . . 1.91 109.95 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.92 -43.87 97.97 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.787 -1.195 . . . . 2.46 108.815 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -65.27 -28.13 69.13 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.108 -0.701 . . . . 1.54 109.108 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 53' ' ' PHE . 5.2 tp -56.08 -40.3 73.41 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.49 -0.756 . . . . 1.45 109.58 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -121.94 55.69 1.11 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.472 -0.768 . . . . 1.68 109.507 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -125.73 -104.44 0.35 Allowed 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.507 -0.746 . . . . 3.08 109.193 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -53.42 161.67 0.93 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.299 -0.876 . . . . 3.33 109.146 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -67.55 115.54 7.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.328 -1.36 . . . . 2.66 107.328 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.488 ' O ' ' O ' ' A' ' 44' ' ' ILE . 76.2 m -90.61 27.85 1.64 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.556 -0.715 . . . . 2.22 109.669 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -97.27 -39.03 9.44 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.223 -0.923 . . . . 3.09 111.393 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -79.21 -29.63 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.96 -1.088 . . . . 2.41 112.212 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CE2' ' CD ' ' A' ' 60' ' ' GLU . 96.8 m-85 -110.64 1.78 18.21 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.921 -1.112 . . . . 1.56 110.893 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.53 ' CG1' ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -171.8 173.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 118.461 -1.296 . . . . 1.14 109.542 -177.376 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 41.5 t -114.23 102.69 10.37 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.211 -0.93 . . . . 1.71 109.111 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.446 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.35 87.84 2.72 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.046 -1.464 . . . . 1.46 107.046 179.502 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -58.86 141.71 52.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.993 -1.067 . . . . 2.04 109.645 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.76 47.27 1.19 Allowed Glycine 0 N--CA 1.499 2.869 0 N-CA-C 109.858 -1.297 . . . . 1.95 109.858 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -112.59 -97.52 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.383 -1.069 . . . . 3.56 109.527 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.35 -102.0 0.6 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 108.809 -1.716 . . . . 1.32 108.809 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -156.62 82.21 0.96 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.229 -1.159 . . . . 1.06 109.408 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' OE2' ' CZ ' ' A' ' 103' ' ' ARG . 81.0 mm-40 -132.92 128.91 37.56 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.543 -1.28 . . . . 2.5 107.543 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.449 ' CD1' HD11 ' A' ' 35' ' ' LEU . 22.9 t80 -119.37 123.69 44.76 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.436 -0.79 . . . . 0.82 109.51 -179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -129.57 118.02 21.35 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.269 -0.894 . . . . 2.34 109.752 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 55' ' ' LEU . 5.1 mp -85.05 98.69 10.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.68 -0.637 . . . . 1.3 109.396 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.9 p -76.09 -39.28 55.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.09 -1.006 . . . . 1.6 110.066 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 59' ' ' ASP . 86.2 m-20 -134.74 71.44 70.37 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.317 -0.865 . . . . 2.54 109.883 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -72.18 33.05 0.28 Allowed 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.266 1.311 . . . . 1.09 110.114 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 57' ' ' ASP . 97.3 m-20 -69.89 -40.89 75.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.614 -1.304 . . . . 2.89 110.814 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 81.7 mt-10 -79.35 -41.72 27.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.968 -1.082 . . . . 3.15 109.099 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.7 -40.73 88.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 108.625 -0.88 . . . . 0.8 108.625 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.31 88.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.935 -1.103 . . . . 0.84 108.095 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.66 -44.11 87.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.535 -0.728 . . . . 3.69 109.289 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -59.38 -44.25 92.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 3.46 110.015 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -64.55 -37.19 86.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.554 -0.716 . . . . 1.08 110.173 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.48 -48.18 45.89 Favored Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.234 -0.984 . . . . 1.09 111.59 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -67.22 -14.76 63.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.773 -1.428 . . . . 2.71 111.219 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.428 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -59.24 -36.09 74.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.704 -1.248 . . . . 3.88 109.963 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -104.29 18.72 21.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.177 -0.952 . . . . 2.56 109.973 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 59.37 59.94 2.48 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.196 -0.94 . . . . 3.49 109.558 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.23 149.7 70.34 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 106.817 -1.549 . . . . 2.35 106.817 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -50.57 -86.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.088 0 N-CA-C 109.903 -0.845 . . . . 2.96 109.903 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.48 ' C ' ' SD ' ' A' ' 74' ' ' MET . 2.8 mptt -136.29 136.93 40.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.06 -1.025 . . . . 5.24 110.598 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.48 ' SD ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -115.76 115.81 26.95 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.881 -1.155 . . . . 2.41 107.881 178.048 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 28.0 p30 -71.86 178.83 3.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 1.48 110.893 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.01 -28.03 67.91 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.723 -0.611 . . . . 1.07 109.995 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 72.3 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 2.53 110.536 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -56.55 -36.31 69.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 4.23 109.334 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.6 mt -66.96 -41.54 86.7 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.734 -0.786 . . . . 1.17 109.576 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.0 p -64.91 -44.31 89.97 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.033 -1.067 . . . . 1.39 109.232 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -70.17 -39.49 75.26 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.194 -0.941 . . . . 4.74 110.79 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -84.11 -51.33 4.0 Favored Glycine 0 N--CA 1.495 2.617 0 O-C-N 120.87 -1.144 . . . . 0.8 111.55 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.765 ' O ' HD23 ' A' ' 83' ' ' LEU . 6.6 tt -62.54 -28.61 69.98 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.094 -1.239 . . . . 1.57 110.205 -177.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -60.03 -48.17 82.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.567 -1.333 . . . . 2.34 108.988 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.52 -8.66 2.93 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.331 -0.856 . . . . 1.39 109.632 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.47 ' C ' ' H ' ' A' ' 88' ' ' ASP . 3.9 t80 -74.78 4.91 5.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.132 -0.98 . . . . 1.27 111.056 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -68.51 7.83 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.983 -1.073 . . . . 1.65 109.251 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 86' ' ' TYR . 62.2 t0 -72.05 -37.81 69.61 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.753 -0.832 . . . . 2.74 108.753 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -105.4 137.27 43.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.619 -1.252 . . . . 2.52 107.619 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -77.02 93.01 3.77 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.724 -1.235 . . . . 2.8 107.96 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.953 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -140.12 -84.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.837 -0.539 . . . . 1.28 110.463 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.953 ' H ' HG23 ' A' ' 91' ' ' ILE . 12.8 tt -99.43 135.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.069 -1.019 . . . . 1.09 110.518 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -122.06 147.51 46.01 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.475 0.655 . . . . 1.79 109.499 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -81.65 152.33 27.18 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.785 0.802 . . . . 2.83 109.944 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.62 HG22 ' H ' ' A' ' 97' ' ' GLY . 94.2 m -92.08 123.02 35.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.613 -0.679 . . . . 1.24 109.689 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.42 -8.98 59.5 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.338 -0.851 . . . . 2.47 109.149 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.62 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.16 -34.98 39.64 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.941 -1.264 . . . . 2.32 109.941 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -129.89 178.8 6.26 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.518 -0.99 . . . . 3.6 109.114 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.08 -29.48 9.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.572 -0.705 . . . . 5.66 111.132 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -105.54 10.41 33.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.105 -0.997 . . . . 1.27 110.761 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.1 130.69 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.128 -0.983 . . . . 1.14 111.956 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -105.69 156.13 18.58 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.067 -1.086 . . . . 1.23 108.067 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.43 ' CZ ' ' OE2' ' A' ' 52' ' ' GLU . 58.6 ttt180 -145.15 150.99 37.74 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.166 -1.05 . . . . 2.9 108.166 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 21.5 m-85 -122.58 164.42 18.2 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.518 -0.739 . . . . 1.16 110.029 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.163 -0.922 . . . . 1.98 109.393 -179.144 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 26' ' ' GLN . 10.9 tt . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 108.832 -0.803 . . . . 2.8 108.832 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.633 ' N ' HG23 ' A' ' 25' ' ' ILE . 11.6 tm0? -88.41 158.03 18.51 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.513 -1.367 . . . . 1.66 108.576 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.1 tt -60.03 -52.52 65.04 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.079 -1.013 . . . . 1.54 112.135 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.4 p-90 -77.0 -31.06 56.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.581 -1.324 . . . . 1.16 110.698 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' OE1' ' CZ3' ' A' ' 28' ' ' TRP . 15.0 mm100 -60.08 -41.9 93.43 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.24 -1.392 . . . . 2.34 107.24 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -65.66 -55.68 16.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.369 -0.832 . . . . 0.86 109.132 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.56 -42.66 98.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.533 -0.729 . . . . 1.52 110.319 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.77 -46.67 86.94 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.704 -1.247 . . . . 1.91 110.5 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.38 -49.86 75.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.922 -1.111 . . . . 2.46 110.684 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.494 HD11 ' NZ ' ' A' ' 38' ' ' LYS . 17.6 tp -65.44 -39.77 92.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.872 -1.143 . . . . 1.54 108.46 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 35' ' ' LEU . 8.5 tt -68.73 -9.82 52.88 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.053 -0.522 . . . . 1.45 110.212 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.558 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 94.1 m -68.86 -79.99 0.05 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 118.898 -1.121 . . . . 1.68 112.278 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -134.43 28.24 3.69 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.933 -1.104 . . . . 3.08 112.37 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.494 ' NZ ' HD11 ' A' ' 34' ' ' LEU . 4.5 tmmm? -70.14 151.75 45.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.453 -1.405 . . . . 3.33 108.225 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -72.22 57.84 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 2.66 108.964 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.3 p -90.26 -8.92 49.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.505 -0.747 . . . . 2.22 110.391 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -57.77 -15.08 7.02 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 118.687 -1.205 . . . . 3.09 109.285 -178.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.1 m -75.18 -41.62 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.113 -0.992 . . . . 2.41 109.601 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.67 11.25 26.63 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.702 -1.221 . . . . 1.56 107.702 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.828 HD11 HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -161.6 -167.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.868 -1.53 . . . . 1.14 106.868 -179.38 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.671 ' N ' HG23 ' A' ' 44' ' ' ILE . 40.2 t -140.61 120.75 13.79 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.837 -1.165 . . . . 1.71 110.286 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.584 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -105.12 109.34 21.29 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.005 -1.48 . . . . 1.46 107.005 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.463 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 13.2 t -52.77 148.03 8.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.721 -1.237 . . . . 2.04 109.792 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.24 25.46 23.37 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 108.41 -1.876 . . . . 1.95 108.41 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -115.3 -103.75 0.41 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.422 -1.046 . . . . 3.56 110.062 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.84 -110.81 0.77 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.958 -1.257 . . . . 1.32 109.958 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -139.38 84.68 2.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.596 -0.943 . . . . 1.06 109.677 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' H ' ' CG2' ' A' ' 47' ' ' THR . 92.1 mt-10 -132.7 130.95 40.72 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.593 -1.262 . . . . 2.5 107.593 178.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.443 ' CG ' HD11 ' A' ' 35' ' ' LEU . 31.4 t80 -121.4 130.78 53.8 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.247 -0.908 . . . . 0.82 109.101 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -116.6 116.52 27.74 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.234 -0.916 . . . . 2.34 111.111 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.828 HD23 HD11 ' A' ' 44' ' ' ILE . 2.7 mt -87.37 75.29 9.27 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.819 -0.808 . . . . 1.3 108.819 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -78.46 -49.66 13.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.605 -0.685 . . . . 1.6 111.911 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' ASP . 96.0 m-20 -134.72 69.07 72.09 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.157 -0.964 . . . . 2.54 111.082 -178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -67.22 69.88 0.61 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.589 1.526 . . . . 1.09 108.657 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 26.4 p-10 -69.57 -49.04 58.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.929 -1.107 . . . . 2.89 110.121 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 72.9 mm-40 -89.73 -32.64 16.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.918 -1.114 . . . . 3.15 109.78 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.32 -43.98 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.059 -1.025 . . . . 0.8 109.129 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.97 -46.6 74.14 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.115 -0.991 . . . . 0.84 109.259 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -65.3 -43.82 89.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.264 -0.897 . . . . 3.69 109.956 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -65.26 -43.93 89.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.212 -0.93 . . . . 3.46 110.578 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -62.07 -41.05 97.75 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.419 -0.801 . . . . 1.08 109.121 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.49 -37.56 11.97 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.644 -0.982 . . . . 1.09 110.644 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -64.44 -35.19 80.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.348 . . . . 2.71 108.808 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.3 -24.44 63.28 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.864 -1.161 . . . . 3.88 107.864 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -94.18 12.21 27.39 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.228 -0.656 . . . . 2.56 109.228 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 62.62 24.73 14.73 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 109.159 -0.682 . . . . 3.49 109.159 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -140.25 71.57 33.22 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.326 -0.858 . . . . 2.35 108.906 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -69.5 2.5 3.33 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.864 1.71 . . . . 2.96 109.168 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -91.0 -0.53 57.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 5.24 109.864 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mmt -81.62 124.56 29.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.2 -0.938 . . . . 2.41 110.218 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -72.49 177.3 4.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.575 -0.703 . . . . 1.48 110.227 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -64.05 -15.73 60.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.938 . . . . 1.07 109.556 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.76 -37.06 77.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.996 -1.065 . . . . 2.53 111.218 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -58.32 -29.26 65.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.424 -1.422 . . . . 4.23 109.425 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.96 -42.0 73.75 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.063 -1.023 . . . . 1.17 108.795 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.2 p -59.93 -45.23 93.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.108 . . . . 1.39 109.734 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.402 HH11 ' HG3' ' A' ' 81' ' ' ARG . 28.9 ttm-85 -64.99 -39.9 94.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.236 -0.915 . . . . 4.74 109.999 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.55 -45.22 6.96 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.963 -1.113 . . . . 0.8 110.763 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.724 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -64.04 -40.45 96.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.092 -1.24 . . . . 1.57 110.22 -178.493 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.669 ' C ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -56.96 -41.88 79.11 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.084 -1.635 . . . . 2.34 110.781 -178.171 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -75.94 -6.99 53.5 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.759 -1.213 . . . . 1.39 110.087 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -76.34 6.04 6.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.179 -0.951 . . . . 1.27 112.08 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 15.7 m-85 -82.59 23.57 0.78 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.022 -1.674 . . . . 1.65 108.951 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.82 -41.06 68.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.156 -0.965 . . . . 2.74 108.964 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -107.52 142.41 37.45 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.83 -1.174 . . . . 2.52 107.83 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 23.3 p-10 -78.02 87.42 4.17 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.229 1.014 . . . . 2.8 109.628 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -137.32 -43.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.82 -1.178 . . . . 1.28 107.82 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.555 HD12 ' CE2' ' A' ' 104' ' ' PHE . 4.1 tt -140.13 133.84 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 1.09 109.204 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.502 ' NE2' ' CG1' ' A' ' 105' ' ' VAL . 4.8 p80 -137.71 155.95 48.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.463 -0.773 . . . . 1.79 109.556 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -71.25 143.96 50.21 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.695 -0.628 . . . . 2.83 110.033 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 m -88.34 142.61 27.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 1.24 108.733 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.12 7.65 0.93 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.446 -0.783 . . . . 2.47 110.87 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.2 -98.52 0.22 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.005 -1.638 . . . . 2.32 109.005 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.517 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.7 mmmt -105.16 -178.82 3.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.604 -0.939 . . . . 3.6 109.457 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -85.1 -8.42 58.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.942 . . . . 5.66 109.24 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -105.12 -0.14 26.89 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.357 -0.839 . . . . 1.27 111.081 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.517 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -89.56 124.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.762 -1.211 . . . . 1.14 110.094 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.773 ' CD2' HD12 ' A' ' 55' ' ' LEU . 76.6 m-85 -112.85 150.09 32.2 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.587 -0.894 . . . . 1.23 108.587 178.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -147.67 156.86 43.21 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.312 -0.867 . . . . 2.9 108.886 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CE2' HD12 ' A' ' 92' ' ' ILE . 22.3 m-85 -130.23 161.59 30.85 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.49 0.662 . . . . 1.16 109.829 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.502 ' CG1' ' NE2' ' A' ' 93' ' ' HIS . 15.6 m . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 117.832 -1.08 . . . . 1.98 110.048 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.2 tt . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 107.755 -1.202 . . . . 2.8 107.755 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.541 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 7.1 tm0? -78.75 151.8 31.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.646 -1.283 . . . . 1.66 108.363 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.642 HD11 ' CZ2' ' A' ' 65' ' ' TRP . 11.9 tp -62.47 -66.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.912 -1.118 . . . . 1.54 111.21 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 48.0 p-90 -60.15 -35.71 75.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.18 . . . . 1.16 110.981 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.64 -40.2 86.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.396 -1.44 . . . . 2.34 107.429 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -68.92 -47.53 65.51 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.04 -1.096 . . . . 0.86 108.04 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.38 -45.16 94.53 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.326 -0.99 . . . . 1.52 108.326 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -58.08 -52.76 64.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 1.91 109.432 -179.386 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.9 -46.96 87.66 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.914 -1.143 . . . . 2.46 107.914 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -60.58 -42.32 96.43 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.145 -1.057 . . . . 1.54 108.145 178.627 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.0 tt -45.78 -52.78 10.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.294 -0.879 . . . . 1.45 109.71 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -131.11 72.66 1.51 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.968 -1.082 . . . . 1.68 111.518 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 21.2 p-10 -109.26 -51.27 2.9 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.234 -0.916 . . . . 3.08 109.484 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.488 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 42.8 pttt -104.91 -160.77 0.78 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.846 -0.798 . . . . 3.33 108.846 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -66.83 -36.22 81.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.07 -1.019 . . . . 2.66 108.909 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 57.9 m 53.44 27.11 6.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 2.22 110.646 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.58 -48.0 5.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.013 -1.054 . . . . 3.09 110.425 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -77.62 -11.84 59.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.437 -0.789 . . . . 2.41 111.361 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -109.61 -12.47 14.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.079 -1.013 . . . . 1.56 109.636 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.53 ' CG1' ' H ' ' A' ' 45' ' ' SER . 7.5 tt -166.41 -176.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.194 -0.941 . . . . 1.14 109.721 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.53 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 31.4 t -113.9 110.53 20.25 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.28 -0.888 . . . . 1.71 111.131 -179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.89 104.37 11.55 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 106.899 -1.519 . . . . 1.46 106.899 178.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -76.79 146.49 37.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.546 -1.346 . . . . 2.04 110.144 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.69 66.52 1.38 Allowed Glycine 0 N--CA 1.496 2.692 0 N-CA-C 109.707 -1.357 . . . . 1.95 109.707 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -122.92 -124.64 0.26 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.453 -1.028 . . . . 3.56 109.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.9 -81.9 0.75 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.548 -1.821 . . . . 1.32 108.548 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -159.89 76.46 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -1.157 . . . . 1.06 108.958 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -125.64 135.46 52.17 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.785 -1.191 . . . . 2.5 107.785 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD1' HD21 ' A' ' 35' ' ' LEU . 50.2 t80 -126.98 131.92 50.93 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.731 -0.606 . . . . 0.82 109.718 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -124.57 132.85 53.43 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.52 -0.737 . . . . 2.34 109.868 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.2 mp -92.38 108.65 20.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.326 -0.858 . . . . 1.3 110.943 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.8 t -83.14 -67.7 0.77 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 1.6 109.817 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' ASP . 74.4 m-20 -143.75 71.13 17.19 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.373 -0.829 . . . . 2.54 110.562 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -65.15 50.67 0.21 Allowed 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.375 1.383 . . . . 1.09 109.33 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t0 -67.32 -39.44 85.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.903 -1.123 . . . . 2.89 109.288 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -73.75 -36.47 65.13 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.361 -0.837 . . . . 3.15 108.792 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.18 -37.76 78.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.735 -0.603 . . . . 0.8 110.093 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.33 90.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.737 -1.227 . . . . 0.84 109.206 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 -60.3 -45.45 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.343 -0.848 . . . . 3.69 109.049 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 64' ' ' ARG . 25.4 mtt-85 -61.62 -40.25 94.17 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.146 -0.971 . . . . 3.46 109.74 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.642 ' CZ2' HD11 ' A' ' 27' ' ' LEU . 7.2 t-105 -64.49 -35.48 81.08 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.591 0.71 . . . . 1.08 109.692 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.35 -33.22 9.58 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.694 -0.765 . . . . 1.09 111.249 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.76 -41.05 94.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.671 -1.487 . . . . 2.71 110.261 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.96 -33.1 72.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.811 -1.181 . . . . 3.88 109.53 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -92.92 1.36 57.34 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.241 -0.912 . . . . 2.56 109.118 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 54.96 46.9 23.38 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 112.63 0.604 . . . . 3.49 112.63 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -95.39 159.49 32.65 Favored Pre-proline 0 N--CA 1.505 2.319 0 O-C-N 120.699 -1.251 . . . . 2.35 108.242 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -63.16 -61.15 0.14 Allowed 'Trans proline' 0 N--CA 1.48 0.71 0 C-N-CA 121.155 1.236 . . . . 2.96 109.468 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -134.01 145.29 49.33 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.348 -0.982 . . . . 5.24 108.348 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 30.4 ttm -126.59 99.76 5.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.267 -0.896 . . . . 2.41 109.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' ASN . 25.9 p30 -70.54 159.1 34.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.228 -0.92 . . . . 1.48 109.393 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.55 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 t80 -69.43 -21.43 63.74 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.365 -0.834 . . . . 1.07 109.208 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.556 ' OE2' ' NH2' ' A' ' 81' ' ' ARG . 57.3 tt0 -59.71 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.519 -0.738 . . . . 2.53 109.98 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.72 -39.55 68.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 4.23 110.07 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.45 -43.23 81.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.043 -1.036 . . . . 1.17 109.856 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 m -63.88 -45.09 90.97 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.24 . . . . 1.39 108.025 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.556 ' NH2' ' OE2' ' A' ' 77' ' ' GLU . 85.6 mtt180 -68.63 -46.23 69.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.44 -0.788 . . . . 4.74 110.648 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -51.68 12.06 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.036 -1.078 . . . . 0.8 111.595 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.471 HD21 HD12 ' A' ' 92' ' ' ILE . 8.0 tt -60.42 -30.98 69.97 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.958 -1.319 . . . . 1.57 110.855 -178.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -52.7 -49.95 64.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.593 -1.317 . . . . 2.34 108.843 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.28 -12.15 8.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.455 -0.778 . . . . 1.39 110.584 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.481 ' C ' ' H ' ' A' ' 88' ' ' ASP . 2.6 t80 -72.3 2.31 6.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.101 -0.999 . . . . 1.27 110.427 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.71 6.08 0.38 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.48 -1.388 . . . . 1.65 109.182 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 86' ' ' TYR . 83.3 m-20 -69.5 -41.29 76.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.149 -1.056 . . . . 2.74 108.149 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -108.48 132.05 54.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.386 -1.339 . . . . 2.52 107.386 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.648 HD22 ' N ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -81.33 87.18 6.16 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.697 -1.252 . . . . 2.8 108.205 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -135.39 -49.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.695 -0.854 . . . . 1.28 108.695 -179.358 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -129.61 111.59 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.386 -0.968 . . . . 1.09 108.386 178.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.494 ' N ' HD13 ' A' ' 92' ' ' ILE . 13.1 m170 -106.16 153.82 21.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.654 -0.654 . . . . 1.79 109.255 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -84.74 131.7 34.53 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.612 -1.255 . . . . 2.83 107.612 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.7 m -87.56 132.24 34.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.18 -0.95 . . . . 1.24 110.177 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.37 51.38 1.81 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.349 -0.845 . . . . 2.47 108.892 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.96 -84.68 0.84 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.715 -1.754 . . . . 2.32 108.715 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.606 ' H ' HG21 ' A' ' 101' ' ' VAL . 82.2 tttt -120.75 -64.36 1.25 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.597 -0.943 . . . . 3.6 108.894 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -171.9 -38.84 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.065 -1.022 . . . . 5.66 110.797 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -103.42 25.34 9.73 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.041 -1.037 . . . . 1.27 108.283 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.606 HG21 ' H ' ' A' ' 98' ' ' LYS . 1.8 t -92.55 119.19 39.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.742 0.782 . . . . 1.14 109.992 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 13.8 m-85 -116.59 151.86 35.36 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.11 -0.7 . . . . 1.23 109.11 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -154.05 156.23 36.94 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.802 -0.814 . . . . 2.9 108.802 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.479 ' CE1' HD12 ' A' ' 35' ' ' LEU . 22.3 m-85 -120.71 152.75 37.85 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.707 -0.62 . . . . 1.16 109.585 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.881 -1.057 . . . . 1.98 109.309 -179.253 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.0 tp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.468 -0.567 . . . . 2.8 109.468 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 3.6 tm0? -88.9 153.72 20.82 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.976 -1.077 . . . . 1.66 108.91 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD23 ' C ' ' A' ' 27' ' ' LEU . 9.8 tt -56.54 -56.53 20.16 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.755 -1.215 . . . . 1.54 112.242 -178.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.501 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 59.1 p-90 -74.54 -31.14 62.02 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.366 -1.459 . . . . 1.16 110.884 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.85 -39.87 86.66 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.401 -1.333 . . . . 2.34 107.401 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -65.32 -56.36 13.1 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.482 -0.933 . . . . 0.86 108.482 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.9 -43.94 94.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.678 -0.639 . . . . 1.52 110.01 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -44.17 97.17 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.792 -1.193 . . . . 1.91 109.274 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -64.97 -44.25 89.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.803 -1.185 . . . . 2.46 108.223 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.95 -42.66 94.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.316 -1.365 . . . . 1.54 107.316 178.765 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.534 HD11 ' CG ' ' A' ' 53' ' ' PHE . 8.6 tp -50.31 -40.01 47.37 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.575 -0.703 . . . . 1.45 109.864 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -108.07 50.29 0.78 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.278 -0.889 . . . . 1.68 110.339 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -107.46 -115.3 0.27 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.139 -0.975 . . . . 3.08 109.67 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.547 ' NZ ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pttt -64.6 -171.63 0.06 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.219 -0.926 . . . . 3.33 110.091 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 41' ' ' GLN . 32.8 t -69.14 -44.28 72.64 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.706 -0.85 . . . . 2.66 108.706 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ILE . 5.0 t 59.24 1.3 0.22 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.488 -0.757 . . . . 2.22 109.902 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' A' ' 39' ' ' SER . 24.8 mt-30 -59.84 -40.25 87.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.981 . . . . 3.09 110.192 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 43' ' ' PHE . 82.7 p -79.51 -10.89 59.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 2.41 109.684 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CD1' ' NZ ' ' A' ' 38' ' ' LYS . 87.6 m-85 -111.47 -15.21 13.59 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.54 -0.725 . . . . 1.56 109.832 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.65 HD11 ' HG ' ' A' ' 55' ' ' LEU . 6.9 tt -164.31 -178.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.347 -0.941 . . . . 1.14 109.422 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 t -113.54 111.29 21.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.168 -0.957 . . . . 1.71 110.324 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 109.88 19.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 106.283 -1.747 . . . . 1.46 106.283 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -55.87 142.77 33.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.59 -1.319 . . . . 2.04 109.608 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.35 17.73 55.04 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.166 -1.573 . . . . 1.95 109.166 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -109.15 -106.52 0.35 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.43 -1.041 . . . . 3.56 110.977 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -110.41 0.32 Allowed Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.099 -1.601 . . . . 1.32 109.099 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -143.2 100.21 3.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.22 -1.165 . . . . 1.06 110.497 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -147.83 131.86 17.24 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.504 -1.295 . . . . 2.5 107.504 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 41.6 t80 -123.17 127.02 48.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.511 -0.743 . . . . 0.82 110.109 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -124.92 132.4 53.3 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.434 -0.791 . . . . 2.34 108.884 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.65 ' HG ' HD11 ' A' ' 44' ' ' ILE . 7.8 mp -89.51 90.4 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.124 -0.985 . . . . 1.3 109.427 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -71.22 -48.47 51.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 1.6 109.67 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 43' ' ' PHE . 20.7 p-10 -148.53 79.98 8.55 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.212 -0.93 . . . . 2.54 111.185 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -76.8 50.48 3.06 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 120.92 1.08 . . . . 1.09 109.828 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 40.5 p-10 -68.46 -42.94 78.06 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.405 -1.434 . . . . 2.89 110.58 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 10.2 tp10 -80.5 -40.54 25.9 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.624 -1.297 . . . . 3.15 109.658 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.57 -44.43 93.84 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.438 -0.789 . . . . 0.8 110.148 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.7 54.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.041 -1.037 . . . . 0.84 109.659 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.74 -42.23 95.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.144 -0.972 . . . . 3.69 109.262 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 64' ' ' ARG . 24.9 ttt-85 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 3.46 109.093 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.434 ' CD2' HD21 ' A' ' 79' ' ' LEU . 52.3 t-105 -52.09 -36.31 50.5 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.235 -0.916 . . . . 1.08 108.975 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -86.68 -22.41 46.77 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.156 -1.021 . . . . 1.09 110.988 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -63.39 -35.63 81.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.563 -1.551 . . . . 2.71 110.247 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -55.15 -40.09 70.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.885 -1.134 . . . . 3.88 108.551 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -103.05 20.81 16.88 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.73 -0.841 . . . . 2.56 108.73 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.12 57.51 4.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.503 -0.748 . . . . 3.49 110.367 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 66' ' ' GLY . 41.5 mmtm -137.06 68.49 56.68 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 121.008 -1.058 . . . . 2.35 109.75 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -67.72 -5.2 13.74 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.182 1.254 . . . . 2.96 109.531 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -93.66 -0.93 55.86 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.15 -0.969 . . . . 5.24 110.385 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.7 mmt -85.68 106.77 17.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.868 -1.145 . . . . 2.41 110.335 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -71.49 -178.4 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.133 0.968 . . . . 1.48 110.904 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.471 ' OH ' ' OH ' ' A' ' 102' ' ' TYR . 82.5 t80 -58.15 -29.04 65.26 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.794 -0.639 . . . . 1.07 109.483 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -59.15 -30.09 67.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.094 -1.004 . . . . 2.53 109.033 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -55.2 -40.4 70.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.688 -1.227 . . . . 4.23 107.688 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD21 ' CD2' ' A' ' 65' ' ' TRP . 33.4 mt -68.09 -40.81 82.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.465 -0.772 . . . . 1.17 109.52 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -62.25 -49.54 75.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.71 -1.244 . . . . 1.39 109.606 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.618 ' CG ' HH11 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.68 -42.14 82.57 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.196 -1.001 . . . . 4.74 108.829 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.03 -52.44 23.62 Favored Glycine 0 N--CA 1.496 2.669 0 C-N-CA 120.162 -1.018 . . . . 0.8 110.887 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.846 HD11 HG21 ' A' ' 92' ' ' ILE . 24.5 tp -67.77 -33.63 75.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.924 -1.339 . . . . 1.57 110.468 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.543 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.2 tmt_? -58.27 -50.89 72.0 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.165 -0.96 . . . . 2.34 110.138 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -71.54 -16.69 62.33 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.006 -1.059 . . . . 1.39 109.095 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 26.7 t80 -73.29 7.1 2.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.635 -0.665 . . . . 1.27 112.454 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.543 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 37.9 m-85 -78.93 20.75 0.45 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.042 -1.661 . . . . 1.65 108.574 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 86' ' ' TYR . 84.4 m-20 -72.19 -34.06 68.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.355 -0.84 . . . . 2.74 109.229 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 91' ' ' ILE . 11.9 mptt -103.76 140.68 37.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.926 -1.139 . . . . 2.52 107.926 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.409 ' ND2' ' NE2' ' A' ' 93' ' ' HIS . 1.1 t-20 -76.27 92.54 3.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.866 -1.146 . . . . 2.8 108.084 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.965 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -142.19 -87.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.827 -0.624 . . . . 1.28 109.586 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.965 ' H ' HG23 ' A' ' 91' ' ' ILE . 19.9 tt -94.93 127.9 46.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.966 -1.084 . . . . 1.09 110.343 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.409 ' NE2' ' ND2' ' A' ' 90' ' ' ASN . 55.9 m-70 -128.37 138.23 52.26 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.317 -0.994 . . . . 1.79 108.317 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -72.22 156.11 39.5 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.815 -1.178 . . . . 2.83 109.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 97' ' ' GLY . 89.3 m -89.82 137.47 32.31 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.205 -0.934 . . . . 1.24 108.673 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.44 10.53 0.46 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 2.47 110.757 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.495 ' H ' HG22 ' A' ' 95' ' ' THR . . . -79.83 -89.08 0.5 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.377 -1.489 . . . . 2.32 109.377 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.442 ' H ' HG21 ' A' ' 101' ' ' VAL . 89.7 mttt -107.94 178.4 4.53 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.329 -1.101 . . . . 3.6 108.354 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -89.34 -9.41 50.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.662 -1.274 . . . . 5.66 109.582 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -99.95 2.58 43.72 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.128 -0.982 . . . . 1.27 110.411 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.442 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.7 m -94.21 125.58 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.711 -1.243 . . . . 1.14 110.273 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.533 ' CD1' HD13 ' A' ' 55' ' ' LEU . 7.9 m-85 -112.35 150.08 31.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.63 -0.878 . . . . 1.23 108.63 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' A' ' 103' ' ' ARG . 37.9 ttt-85 -149.02 158.19 43.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.068 -1.02 . . . . 2.9 109.979 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.721 ' CE2' HD12 ' A' ' 92' ' ' ILE . 81.2 m-85 -128.03 159.56 34.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.526 -0.733 . . . . 1.16 109.558 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 91' ' ' ILE . 19.3 m . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 118.049 -0.977 . . . . 1.98 109.367 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 pt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.48 0.657 . . . . 2.8 110.386 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.57 ' NE2' ' OH ' ' A' ' 86' ' ' TYR . 1.8 tm0? -90.63 145.44 24.84 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.495 -1.298 . . . . 1.66 107.495 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 27' ' ' LEU . 1.2 tm? -56.33 -59.49 4.88 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.743 -1.223 . . . . 1.54 111.501 -177.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.555 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.0 p-90 -72.3 -36.91 69.04 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.741 -1.224 . . . . 1.16 113.054 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -58.71 -38.21 77.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 117.677 -1.609 . . . . 2.34 108.181 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.95 -45.96 66.31 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.376 -0.827 . . . . 0.86 110.515 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 tp -67.47 -43.7 80.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.897 -1.127 . . . . 1.52 110.218 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.37 -46.71 88.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 1.91 109.163 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.09 -40.08 94.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.702 -1.249 . . . . 2.46 108.529 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.55 -28.44 69.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 1.54 109.802 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 4.8 mp -60.04 -41.37 92.13 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.527 -1.358 . . . . 1.45 108.397 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.1 p -109.42 61.16 0.6 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.272 -0.893 . . . . 1.68 110.676 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 -104.31 0.21 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.01 -1.056 . . . . 3.08 109.933 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 174.38 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.444 -0.785 . . . . 3.33 110.32 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -74.48 114.95 13.46 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.661 0.743 . . . . 2.66 109.05 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.1 m -80.63 6.67 12.02 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 122.003 0.906 . . . . 2.22 109.157 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -98.28 61.61 1.45 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.3 -0.875 . . . . 3.09 110.447 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -159.86 -55.9 0.06 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.975 -1.078 . . . . 2.41 109.264 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -124.07 19.24 9.18 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.786 -0.82 . . . . 1.56 108.786 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.511 ' CG1' ' H ' ' A' ' 45' ' ' SER . 8.0 tt -163.86 179.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.217 -0.993 . . . . 1.14 110.428 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.511 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 23.2 t -138.16 129.97 28.26 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.073 -1.017 . . . . 1.71 111.349 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.406 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.49 105.86 12.95 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 106.66 -1.607 . . . . 1.46 106.66 178.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.468 HG21 ' H ' ' A' ' 52' ' ' GLU . 10.7 t -63.3 141.98 58.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.494 -1.379 . . . . 2.04 109.526 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.29 30.92 9.17 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.037 -1.225 . . . . 1.95 110.037 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -120.87 -94.36 0.5 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.37 -1.076 . . . . 3.56 110.423 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.4 -108.84 0.52 Allowed Glycine 0 N--CA 1.484 1.868 0 N-CA-C 109.594 -1.402 . . . . 1.32 109.594 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.456 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 56.3 t-105 -151.09 49.37 0.84 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 1.06 109.64 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' H ' HG21 ' A' ' 47' ' ' THR . 94.5 mt-10 -99.16 108.24 20.79 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.948 -1.095 . . . . 2.5 108.45 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -107.94 130.38 55.04 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.543 -0.91 . . . . 0.82 108.543 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -138.71 138.18 37.48 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.03 -1.044 . . . . 2.34 110.739 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.24 94.96 9.81 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.833 -0.803 . . . . 1.3 108.833 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -72.56 -43.0 64.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.973 -1.079 . . . . 1.6 110.097 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ASP . 95.5 m-20 -132.11 71.32 80.01 Favored Pre-proline 0 N--CA 1.503 2.218 0 O-C-N 121.305 -0.872 . . . . 2.54 109.346 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.38 46.24 0.35 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.343 1.362 . . . . 1.09 109.886 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' ASP . 98.3 m-20 -69.35 -43.02 74.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.635 -1.291 . . . . 2.89 108.928 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -86.47 -33.84 20.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.823 . . . . 3.15 109.792 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.66 -45.25 85.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 119.498 -0.881 . . . . 0.8 109.59 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.54 92.11 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.243 -0.911 . . . . 0.84 109.924 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -68.41 -41.99 79.63 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.613 -0.679 . . . . 3.69 109.678 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.556 HH11 ' HG2' ' A' ' 64' ' ' ARG . 12.7 ttt-85 -65.74 -39.67 91.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 3.46 109.808 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.538 ' CE2' HD21 ' A' ' 79' ' ' LEU . 10.0 t-105 -55.24 -44.39 75.46 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.196 -0.94 . . . . 1.08 109.502 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.76 -15.86 64.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.566 -1.014 . . . . 1.09 110.566 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.28 -43.04 92.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.099 -1.236 . . . . 2.71 109.994 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.04 -18.22 65.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.772 -1.205 . . . . 3.88 109.062 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -92.93 6.21 48.61 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.19 -0.67 . . . . 2.56 109.19 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.2 m120 57.94 40.61 25.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.386 0.612 . . . . 3.49 109.898 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -111.23 149.17 40.15 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 107.773 -1.195 . . . . 2.35 107.773 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.2 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.869 0 N-CA-C 109.161 -1.13 . . . . 2.96 109.161 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -135.11 143.97 46.88 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.57 -0.9 . . . . 5.24 108.57 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.1 mtp -125.19 140.13 53.13 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.776 -0.824 . . . . 2.41 108.776 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.66 165.04 23.76 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.936 0.874 . . . . 1.48 110.866 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.32 -20.38 66.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.127 -0.694 . . . . 1.07 109.127 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.64 -36.92 77.33 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.439 -0.788 . . . . 2.53 109.908 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -54.97 -40.52 70.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.793 -1.192 . . . . 4.23 109.537 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 65' ' ' TRP . 29.7 mt -66.48 -43.34 85.69 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.229 -0.92 . . . . 1.17 109.571 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.9 m -59.16 -51.39 70.21 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.825 -1.172 . . . . 1.39 109.779 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.533 ' NH1' HH21 ' A' ' 84' ' ' ARG . 8.8 tpm_? -69.39 -41.18 76.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 4.74 109.986 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.92 23.21 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 119.594 -1.289 . . . . 0.8 110.93 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.774 HD13 ' CE1' ' A' ' 102' ' ' TYR . 5.2 tt -67.03 -44.37 80.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.873 -1.369 . . . . 1.57 110.703 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 mtp180 -58.44 -50.56 73.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.16 -1.588 . . . . 2.34 108.863 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 40.3 t80 -53.71 -14.88 1.01 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.535 -1.353 . . . . 1.39 108.663 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.57 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.5 t80 -76.01 6.32 5.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.291 -0.881 . . . . 1.27 110.568 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 54.4 m-85 -68.89 8.4 0.53 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 1.65 109.125 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 86' ' ' TYR . 90.2 m-20 -74.33 -35.05 63.61 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.086 -1.046 . . . . 2.74 108.569 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -109.17 130.75 55.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.96 -1.126 . . . . 2.52 107.96 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -80.08 86.49 5.53 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.816 -1.177 . . . . 2.8 107.955 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -137.31 -42.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 108.278 -1.008 . . . . 1.28 108.278 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.502 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 7.1 tt -137.45 127.57 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.732 -1.23 . . . . 1.09 110.442 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' A' ' 103' ' ' ARG . 14.4 m-70 -126.46 151.18 48.11 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 108.019 -1.104 . . . . 1.79 108.019 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -90.61 147.82 23.07 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.811 -1.181 . . . . 2.83 110.729 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 97' ' ' GLY . 52.7 m -91.66 127.48 37.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.425 -0.797 . . . . 1.24 109.029 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.21 37.27 0.16 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.082 -1.011 . . . . 2.47 109.031 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -76.95 -78.94 0.71 Allowed Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.846 -1.302 . . . . 2.32 109.846 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.588 ' H ' HG21 ' A' ' 101' ' ' VAL . 83.8 tttt -108.1 -111.77 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -1.184 . . . . 3.6 108.574 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -134.93 -30.53 1.06 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.484 -1.385 . . . . 5.66 110.156 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -107.27 20.71 18.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.655 -0.653 . . . . 1.27 109.863 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.588 HG21 ' H ' ' A' ' 98' ' ' LYS . 1.8 t -87.89 131.79 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.887 -1.133 . . . . 1.14 111.103 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.774 ' CE1' HD13 ' A' ' 83' ' ' LEU . 35.8 m-85 -122.1 155.94 34.64 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.69 -0.856 . . . . 1.23 108.69 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 93' ' ' HIS . 31.4 ttt-85 -153.06 153.09 32.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.296 -0.878 . . . . 2.9 108.976 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.502 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 21.9 m-85 -120.73 147.68 44.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.403 -0.811 . . . . 1.16 109.98 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.096 -0.954 . . . . 1.98 109.509 -179.115 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.131 -0.692 . . . . 2.8 109.131 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.587 ' OE1' ' NE1' ' A' ' 28' ' ' TRP . 45.7 tt0 -90.23 131.51 36.01 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.011 -1.107 . . . . 1.66 108.011 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.53 -38.85 62.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.9 -1.125 . . . . 1.54 112.426 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.587 ' NE1' ' OE1' ' A' ' 26' ' ' GLN . 6.4 p-90 -69.0 -42.97 75.74 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.787 -1.821 . . . . 1.16 110.297 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 13.4 tt0 -58.7 -45.35 89.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.519 -1.363 . . . . 2.34 107.454 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -64.97 -49.84 68.71 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.385 0.612 . . . . 0.86 109.864 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.24 -44.71 78.77 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.427 -0.795 . . . . 1.52 111.154 -178.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.17 -44.22 96.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.497 -1.377 . . . . 1.91 109.649 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -59.71 -49.29 78.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 2.46 108.722 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.06 -30.55 70.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.551 -0.718 . . . . 1.54 109.141 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 8.2 tt -51.63 -40.78 60.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.136 -0.978 . . . . 1.45 109.688 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -131.35 64.45 1.58 Allowed 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.398 -0.814 . . . . 1.68 111.143 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 38' ' ' LYS . 57.3 t0 -135.46 -60.74 0.75 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.832 -1.167 . . . . 3.08 109.773 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.771 ' NZ ' ' H ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -59.94 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.3 -0.875 . . . . 3.33 109.063 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 70.9 m -69.54 -90.04 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.287 -0.883 . . . . 2.66 109.156 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER 160.52 -65.98 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.747 -0.834 . . . . 2.22 108.747 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.72 -9.72 58.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.745 -0.597 . . . . 3.09 111.079 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 t -70.77 -42.99 69.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.886 -1.134 . . . . 2.41 109.788 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.771 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 88.0 m-85 -131.38 3.88 4.29 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.234 -0.916 . . . . 1.56 111.429 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.579 ' CG1' ' H ' ' A' ' 45' ' ' SER . 4.6 tt -165.03 -168.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 119.998 -1.689 . . . . 1.14 110.736 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.579 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 52.8 m -128.8 114.08 16.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.078 -1.014 . . . . 1.71 109.499 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.42 108.29 19.57 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 107.377 -1.342 . . . . 1.46 107.377 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -56.1 146.88 21.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.177 -0.952 . . . . 2.04 109.649 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.65 48.52 0.95 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.511 -1.436 . . . . 1.95 109.511 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -126.19 -108.63 0.31 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.394 -1.062 . . . . 3.56 109.077 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.8 -103.87 0.72 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 108.857 -1.697 . . . . 1.32 108.857 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -139.08 87.97 2.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -1.053 . . . . 1.06 109.158 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -137.33 129.09 28.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.839 -1.171 . . . . 2.5 107.839 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -118.67 126.22 51.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.382 -0.824 . . . . 0.82 109.397 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -116.73 128.31 55.2 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.502 -0.749 . . . . 2.34 109.749 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.0 mp -87.62 99.68 12.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.433 -0.792 . . . . 1.3 110.235 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.4 m -80.32 -62.38 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.658 -0.652 . . . . 1.6 110.349 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 59' ' ' ASP . 57.4 p-10 -142.83 61.29 10.62 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 120.956 -1.09 . . . . 2.54 112.61 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 57' ' ' ASP . 3.9 Cg_exo -62.6 62.23 0.14 Allowed 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 121.424 1.416 . . . . 1.09 109.589 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 57' ' ' ASP . 94.4 m-20 -71.33 -43.54 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 2.89 109.86 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -77.0 -29.37 55.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 3.15 109.485 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.3 t -66.32 -48.58 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 119.804 -0.758 . . . . 0.8 109.856 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.31 80.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.105 -0.997 . . . . 0.84 109.918 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -60.77 -44.02 97.31 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.12 -0.987 . . . . 3.69 108.99 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 64' ' ' ARG . 16.9 ttt-85 -67.76 -35.56 78.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.395 -0.816 . . . . 3.46 109.205 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CZ2' HD21 ' A' ' 79' ' ' LEU . 15.3 t-105 -53.52 -43.04 68.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.793 -0.818 . . . . 1.08 108.793 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' ASN . . . -91.0 -17.03 53.08 Favored Glycine 0 N--CA 1.496 2.686 0 C-N-CA 120.47 -0.871 . . . . 1.09 110.926 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -60.2 -44.15 95.36 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.708 -1.466 . . . . 2.71 107.792 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' NE ' HH12 ' A' ' 64' ' ' ARG . 3.4 mtt-85 -59.92 -35.22 74.43 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.517 -0.919 . . . . 3.88 108.517 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -96.11 9.22 41.57 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 2.56 109.445 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' GLY . 97.9 m-20 57.48 49.89 12.1 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.347 0.594 . . . . 3.49 110.026 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -137.86 69.84 50.68 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.564 -0.71 . . . . 2.35 109.498 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -57.51 -10.5 6.94 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 120.945 1.097 . . . . 2.96 110.232 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -103.74 27.21 7.71 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.203 -0.936 . . . . 5.24 109.349 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.7 tpp -68.13 121.43 16.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.274 -0.891 . . . . 2.41 109.981 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 36.2 t-20 -74.56 145.37 43.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.334 -0.853 . . . . 1.48 111.585 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 64.9 t80 -68.58 -39.05 81.15 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.637 0.732 . . . . 1.07 109.228 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.54 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 9.1 pt-20 -61.46 -32.12 72.1 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.261 -1.015 . . . . 2.53 108.261 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -50.56 -38.33 44.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.115 -0.99 . . . . 4.23 108.412 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.486 HD21 ' CZ2' ' A' ' 65' ' ' TRP . 2.9 mt -67.92 -36.31 79.96 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.061 -1.088 . . . . 1.17 108.061 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -58.94 -40.74 85.54 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.945 -1.102 . . . . 1.39 108.291 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -69.34 -35.51 75.97 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.985 -1.117 . . . . 4.74 107.985 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.17 -53.08 8.04 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.809 -1.316 . . . . 0.8 109.809 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 92' ' ' ILE . 18.0 mt -60.65 -20.59 61.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.173 -1.193 . . . . 1.57 109.408 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.44 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 16.5 ttp180 -62.25 -52.1 65.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 2.34 109.207 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -87.29 -9.71 54.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.731 -0.606 . . . . 1.39 110.343 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.493 ' C ' ' H ' ' A' ' 88' ' ' ASP . 19.2 t80 -72.67 2.23 6.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.013 -1.054 . . . . 1.27 111.291 -177.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 40.5 m-85 -78.11 20.95 0.35 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.354 -1.466 . . . . 1.65 108.002 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' A' ' 86' ' ' TYR . 97.9 m-20 -68.14 -39.9 82.58 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.354 -0.98 . . . . 2.74 108.354 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -103.99 141.34 36.36 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.717 -1.586 . . . . 2.52 106.717 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -76.44 91.13 3.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.77 -1.206 . . . . 2.8 108.526 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.649 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.7 tp -137.42 -62.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.972 -0.455 . . . . 1.28 110.758 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.857 HD12 HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -113.54 124.77 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.136 -0.977 . . . . 1.09 112.283 -178.644 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -115.77 131.57 56.9 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.852 -0.795 . . . . 1.79 108.852 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -68.71 142.67 54.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.707 -0.62 . . . . 2.83 110.284 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 97' ' ' GLY . 91.2 m -91.73 135.65 33.74 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.309 -0.87 . . . . 1.24 110.374 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.52 30.55 0.29 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 2.47 108.922 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -77.8 -90.33 0.33 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.441 -1.464 . . . . 2.32 109.441 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -114.26 -123.62 0.29 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.313 -1.11 . . . . 3.6 109.727 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -116.17 -29.51 6.25 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.088 -1.007 . . . . 5.66 111.529 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -106.97 17.54 22.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.997 -1.065 . . . . 1.27 112.239 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.62 128.91 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 120.529 -1.357 . . . . 1.14 111.469 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -119.55 160.01 23.24 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.54 -1.281 . . . . 1.23 107.54 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -146.71 142.78 28.18 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.082 -1.011 . . . . 2.9 108.893 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.46 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 29.0 m-85 -118.0 136.27 53.63 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.685 -0.858 . . . . 1.16 108.685 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.975 -1.012 . . . . 1.98 109.95 -178.078 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 pt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.308 0.575 . . . . 2.8 110.311 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.555 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 9.2 tm0? -85.31 156.56 20.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.76 . . . . 1.66 109.639 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.8 tm? -61.38 -54.32 45.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.391 -0.818 . . . . 1.54 111.765 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.555 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.9 p-90 -78.88 -37.9 38.98 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.526 -1.359 . . . . 1.16 112.357 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -55.78 -37.73 68.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.526 -1.657 . . . . 2.34 106.526 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -67.26 -55.62 13.23 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.605 0.717 . . . . 0.86 109.153 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.62 -44.57 90.11 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.505 -0.747 . . . . 1.52 110.233 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.12 -48.91 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.823 -1.173 . . . . 1.91 110.24 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 87.4 tt0 -61.44 -43.77 98.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.854 -1.153 . . . . 2.46 108.553 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.27 -30.06 70.89 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.666 0.746 . . . . 1.54 109.053 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.604 HD11 ' CG ' ' A' ' 53' ' ' PHE . 9.4 tp -54.53 -46.81 73.64 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.529 -0.732 . . . . 1.45 109.59 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 p -99.93 48.68 0.93 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.193 -0.942 . . . . 1.68 110.295 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 33' ' ' GLU . 77.5 m-20 -132.21 -114.69 0.23 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.399 -0.813 . . . . 3.08 110.161 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.531 ' CE ' ' H ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -57.8 143.89 40.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.78 -1.193 . . . . 3.33 107.78 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.531 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 66.2 m -67.63 -43.48 80.24 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.389 -1.444 . . . . 2.66 111.318 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' HG22 ' A' ' 44' ' ' ILE . 84.7 m 51.49 16.21 0.41 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.177 -0.952 . . . . 2.22 109.164 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 44' ' ' ILE . 39.0 tt0 -59.93 -37.03 78.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.581 -0.699 . . . . 3.09 111.91 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -73.97 -10.49 59.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.329 -1.482 . . . . 2.41 110.074 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -122.87 7.7 9.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.993 -1.114 . . . . 1.56 107.993 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.707 HD11 HD23 ' A' ' 55' ' ' LEU . 1.6 tt -165.93 176.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.384 -0.969 . . . . 1.14 108.384 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t -115.04 116.29 28.21 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.921 -1.112 . . . . 1.71 110.49 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.51 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.37 101.53 9.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.137 -1.431 . . . . 1.46 107.137 179.007 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 p -67.69 152.26 45.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.637 -1.289 . . . . 2.04 108.802 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 37.8 3.61 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.035 -1.626 . . . . 1.95 109.035 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -116.39 -105.46 0.4 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.537 -0.978 . . . . 3.56 109.482 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.56 -106.24 0.61 Allowed Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.261 -1.535 . . . . 1.32 109.261 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.558 ' HE1' ' CD2' ' A' ' 35' ' ' LEU . 4.2 t-105 -140.11 69.48 1.36 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.255 -1.144 . . . . 1.06 109.148 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -113.09 121.96 46.12 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.32 -0.863 . . . . 2.5 109.039 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.604 ' CG ' HD11 ' A' ' 35' ' ' LEU . 58.7 t80 -130.6 135.07 47.52 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.333 -0.854 . . . . 0.82 109.312 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -129.59 130.41 45.64 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.2 -0.937 . . . . 2.34 110.378 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 44' ' ' ILE . 4.5 mt -87.56 73.39 9.46 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.145 -1.057 . . . . 1.3 108.145 178.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.6 p -76.37 -46.45 27.35 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.528 -0.733 . . . . 1.6 112.269 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -135.27 68.77 68.98 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.805 -1.185 . . . . 2.54 111.684 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -75.11 67.42 6.02 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 121.694 1.596 . . . . 1.09 109.279 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.05 -49.8 47.57 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.598 -1.314 . . . . 2.89 109.463 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -85.57 -33.95 21.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 3.15 109.288 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.15 -48.35 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.221 -0.925 . . . . 0.8 110.241 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.25 91.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 0.84 109.88 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -62.0 -42.52 99.24 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.788 -1.195 . . . . 3.69 109.678 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -69.78 -40.03 76.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.917 -1.115 . . . . 3.46 110.12 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.504 ' CE2' HD21 ' A' ' 79' ' ' LEU . 11.9 t-105 -53.84 -39.35 65.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.287 -0.883 . . . . 1.08 109.35 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.36 -29.47 30.3 Favored Glycine 0 N--CA 1.488 2.122 0 O-C-N 120.919 -1.113 . . . . 1.09 110.69 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -66.77 -34.27 77.45 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.025 -1.28 . . . . 2.71 111.169 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 7.4 mpt_? -61.26 -20.61 63.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.431 -1.418 . . . . 3.88 110.142 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.85 8.11 40.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.96 -1.088 . . . . 2.56 108.368 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 60.73 23.51 13.4 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-O 121.152 0.501 . . . . 3.49 110.529 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.9 mptp? -98.16 160.5 28.14 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.092 -1.077 . . . . 2.35 108.092 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -59.17 -148.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.13 1.22 . . . . 2.96 109.674 178.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -92.0 131.97 36.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.596 -1.315 . . . . 5.24 108.554 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.0 mmt -125.33 144.29 50.56 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.624 0.726 . . . . 2.41 110.276 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -66.92 171.35 5.49 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.415 1.103 . . . . 1.48 111.669 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.53 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 52.1 t80 -70.03 -12.38 61.57 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.619 -0.882 . . . . 1.07 108.619 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -60.05 -32.24 70.73 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.347 -0.846 . . . . 2.53 110.783 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.459 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 21.8 pttp -59.38 -33.35 71.09 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.015 -1.053 . . . . 4.23 108.871 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 65' ' ' TRP . 17.5 mt -67.58 -40.7 84.85 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.53 -0.915 . . . . 1.17 108.53 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -65.5 -41.16 93.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.088 -1.008 . . . . 1.39 109.059 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -72.27 -36.06 68.92 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.183 -0.948 . . . . 4.74 110.68 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.14 -46.86 2.74 Favored Glycine 0 N--CA 1.503 3.105 0 C-N-CA 120.015 -1.088 . . . . 0.8 111.771 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.549 HD11 HD12 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -60.61 -43.11 97.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.709 -1.466 . . . . 1.57 108.331 -179.422 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -55.14 -47.29 75.27 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.652 -1.28 . . . . 2.34 110.1 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 89.8 t80 -64.36 -8.91 14.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.969 -1.082 . . . . 1.39 109.41 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.537 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.5 t80 -76.99 10.52 2.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 1.27 110.72 -177.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -76.25 13.38 0.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.704 -1.247 . . . . 1.65 109.237 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.92 -37.55 72.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 2.74 108.879 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.436 ' O ' HG22 ' A' ' 91' ' ' ILE . 9.3 mtpm? -111.86 140.14 46.76 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.718 -1.215 . . . . 2.52 107.718 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 7.8 p30 -76.76 96.16 4.18 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.243 -1.383 . . . . 2.8 108.288 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.936 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.0 OUTLIER -137.89 -87.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.856 -0.527 . . . . 1.28 109.649 -178.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.936 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -96.12 142.9 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.631 -1.293 . . . . 1.09 109.441 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.411 ' N ' HD13 ' A' ' 92' ' ' ILE . 6.5 m-70 -131.65 150.17 52.24 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.294 -0.879 . . . . 1.79 109.266 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -102.12 133.45 46.94 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.789 0.804 . . . . 2.83 108.92 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.528 ' OG1' ' NE ' ' A' ' 103' ' ' ARG . 99.8 m -89.13 141.22 28.69 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 121.336 -0.852 . . . . 1.24 110.09 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.07 56.71 3.84 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.395 -1.441 . . . . 2.47 107.787 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.435 ' H ' HG21 ' A' ' 101' ' ' VAL . . . -81.61 -100.9 0.39 Allowed Glycine 0 N--CA 1.492 2.42 0 C-N-CA 120.165 -1.017 . . . . 2.32 111.031 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -106.96 -43.62 4.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.518 -0.989 . . . . 3.6 110.211 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -171.79 -64.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.09 -1.044 . . . . 5.66 111.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -104.38 40.16 1.53 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.635 -0.666 . . . . 1.27 111.03 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.435 HG21 ' H ' ' A' ' 97' ' ' GLY . 5.5 m -88.06 125.02 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.561 -1.337 . . . . 1.14 109.434 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.53 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 48.6 m-85 -118.75 150.03 40.48 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.145 -0.972 . . . . 1.23 109.225 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.528 ' NE ' ' OG1' ' A' ' 95' ' ' THR . 38.6 mtm180 -149.42 153.66 37.68 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.1 -0.704 . . . . 2.9 109.1 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 104' ' ' PHE . 23.5 m-85 -126.08 163.38 23.21 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.168 -0.679 . . . . 1.16 109.168 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.313 -0.851 . . . . 1.98 109.588 -179.816 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.509 HD12 ' HB2' ' A' ' 30' ' ' PHE . 17.3 pt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.465 0.65 . . . . 2.8 109.692 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.591 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.6 tm0? -87.7 152.06 22.44 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.463 -0.773 . . . . 1.66 108.979 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.685 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.5 tt -52.17 -53.76 39.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.339 -0.851 . . . . 1.54 112.085 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.528 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.1 p-90 -77.15 -30.58 55.12 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.202 -1.561 . . . . 1.16 110.259 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -58.18 -43.6 87.57 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.333 -1.358 . . . . 2.34 107.333 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.509 ' HB2' HD12 ' A' ' 25' ' ' ILE . 40.1 t80 -68.31 -49.22 61.91 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.389 0.614 . . . . 0.86 110.082 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.94 -35.35 80.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.884 -1.135 . . . . 1.52 109.577 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.34 -48.43 70.27 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.831 -1.168 . . . . 1.91 110.563 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -66.81 -37.99 85.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 119.975 -1.703 . . . . 2.46 108.578 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.662 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.5 tm? -64.78 -39.35 93.45 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.82 0.819 . . . . 1.54 108.968 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' A' ' 53' ' ' PHE . 55.2 tp -48.58 -43.39 35.8 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.734 -0.604 . . . . 1.45 109.491 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -123.02 69.77 1.0 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.595 -0.691 . . . . 1.68 110.07 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -126.34 -80.61 0.61 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.349 -0.845 . . . . 3.08 110.342 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' H ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -73.96 -167.31 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.244 -0.91 . . . . 3.33 110.23 -178.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 47.2 t -61.24 -37.32 82.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.914 -1.117 . . . . 2.66 110.665 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 79.99 -50.48 0.37 Allowed 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.701 0.762 . . . . 2.22 109.398 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.84 -32.58 60.7 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.412 -0.805 . . . . 3.09 111.066 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -27.08 60.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.754 -1.217 . . . . 2.41 111.477 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.06 -7.21 7.75 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 121.131 -0.981 . . . . 1.56 111.305 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt -162.78 -168.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.766 -1.209 . . . . 1.14 108.621 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 44' ' ' ILE . 6.3 m -139.89 128.96 23.64 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.535 -1.353 . . . . 1.71 111.353 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -110.86 126.35 54.58 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.755 -1.202 . . . . 1.46 107.755 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 48' ' ' GLY . 2.1 t -53.53 -170.52 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.724 -1.235 . . . . 2.04 110.498 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 47' ' ' THR . . . -58.38 -120.24 0.01 OUTLIER Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.611 -0.996 . . . . 1.95 110.611 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -108.49 12.91 25.79 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.528 -0.983 . . . . 3.56 111.579 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 -115.75 0.57 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.669 -1.372 . . . . 1.32 109.669 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.466 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 50.9 t-105 -163.77 33.71 0.08 Allowed 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.187 -1.184 . . . . 1.06 109.91 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -100.22 131.2 46.3 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 106.311 -1.737 . . . . 2.5 106.311 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.454 ' HZ ' HD13 ' A' ' 44' ' ' ILE . 49.8 t80 -120.12 137.05 54.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.487 -0.758 . . . . 0.82 111.308 -177.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.67 139.89 51.28 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.551 0.691 . . . . 2.34 109.205 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.529 ' HG ' HD11 ' A' ' 44' ' ' ILE . 9.2 mp -91.93 100.98 13.55 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.295 -0.878 . . . . 1.3 110.379 -178.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 58.5 m -74.7 -55.4 5.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.453 -1.404 . . . . 1.6 108.863 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 56' ' ' SER . 98.7 m-20 -138.37 81.78 24.55 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.364 -0.835 . . . . 2.54 110.453 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -74.85 28.32 0.36 Allowed 'Trans proline' 0 N--CA 1.484 0.944 0 C-N-CA 121.747 1.631 . . . . 1.09 110.836 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -70.15 -38.33 75.47 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.723 -1.235 . . . . 2.89 109.423 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -73.72 -38.91 64.66 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.439 -0.788 . . . . 3.15 108.947 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.565 HG22 ' NH2' ' A' ' 64' ' ' ARG . 60.3 t -65.24 -48.16 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.267 -0.896 . . . . 0.8 109.4 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.42 86.64 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.134 -1.061 . . . . 0.84 108.134 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -62.76 -44.67 95.58 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.596 0.713 . . . . 3.69 109.226 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.565 ' NH2' HG22 ' A' ' 61' ' ' VAL . 88.5 mtm180 -74.06 -34.78 64.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 3.46 109.749 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.87 -42.55 80.0 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.839 -0.801 . . . . 1.08 108.839 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.05 -16.26 67.8 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.412 -1.075 . . . . 1.09 110.412 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -61.94 -41.14 97.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.774 -1.427 . . . . 2.71 109.669 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -60.48 -36.26 77.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.162 -0.961 . . . . 3.88 109.404 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -91.9 14.09 16.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.42 -0.8 . . . . 2.56 110.421 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 m120 57.24 46.42 18.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.216 -0.927 . . . . 3.49 109.778 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.664 ' HB2' ' HZ2' ' A' ' 71' ' ' LYS . 9.7 mtmp? -147.24 70.75 11.93 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 2.35 109.338 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -58.16 -8.97 5.55 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 121.407 1.405 . . . . 2.96 110.122 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -99.5 29.12 4.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.395 -0.816 . . . . 5.24 109.02 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.9 tpp -68.93 113.52 6.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.061 -1.025 . . . . 2.41 109.03 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.655 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 10.6 t-20 -69.2 151.32 46.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.366 -0.834 . . . . 1.48 110.021 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' A' ' 76' ' ' TYR . 25.9 t80 -67.23 -25.93 66.34 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.366 -0.834 . . . . 1.07 110.503 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.655 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 34.3 tt0 -58.72 -37.6 76.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.501 -1.375 . . . . 2.53 108.939 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.477 ' N ' ' CD ' ' A' ' 78' ' ' LYS . 11.2 mptt -54.76 -35.67 64.02 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.812 -1.155 . . . . 4.23 107.889 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.26 -31.85 68.0 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.577 -0.898 . . . . 1.17 108.577 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.6 m -57.25 -46.16 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.956 -1.09 . . . . 1.39 108.912 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.482 HH11 ' HG2' ' A' ' 81' ' ' ARG . 16.5 ttt-85 -85.96 -37.83 18.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.276 -0.89 . . . . 4.74 109.706 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.55 -46.6 94.08 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.58 -1.408 . . . . 0.8 109.58 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -39.28 69.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -1.115 . . . . 1.57 108.688 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.472 HH11 ' HB3' ' A' ' 84' ' ' ARG . 1.3 ttt-85 -59.59 -43.51 93.65 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.77 -1.206 . . . . 2.34 110.154 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -72.98 -17.14 61.49 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.137 -0.977 . . . . 1.39 109.236 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.499 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 9.3 t80 -75.07 9.86 1.77 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.524 -0.735 . . . . 1.27 111.817 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.4 m-85 -85.31 23.4 1.31 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.774 -1.204 . . . . 1.65 109.316 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.08 -35.75 66.69 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.74 108.091 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 91' ' ' ILE . 9.9 mtpm? -110.3 145.43 37.45 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.734 -1.58 . . . . 2.52 106.734 178.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -77.82 96.6 4.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.918 -1.114 . . . . 2.8 108.086 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.904 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -138.69 -89.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 108.638 -0.875 . . . . 1.28 108.638 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.904 ' H ' HG23 ' A' ' 91' ' ' ILE . 5.9 tt -93.83 129.66 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 120.589 -1.319 . . . . 1.09 110.962 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -121.39 137.7 54.59 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.187 -0.672 . . . . 1.79 109.187 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.582 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 23.7 pttm -69.69 139.85 53.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.785 -1.197 . . . . 2.83 109.753 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.5 m -92.64 137.55 32.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.399 -0.813 . . . . 1.24 110.271 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.16 31.53 0.5 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 2.47 109.561 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.82 -79.13 0.75 Allowed Glycine 0 N--CA 1.49 2.258 0 C-N-CA 119.713 -1.232 . . . . 2.32 110.049 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -108.11 -81.7 0.56 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.333 -1.098 . . . . 3.6 109.263 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -170.51 -40.1 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.781 -1.199 . . . . 5.66 109.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -99.88 21.26 12.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.318 -0.864 . . . . 1.27 108.702 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 101' ' ' VAL . 11.9 m -92.98 133.98 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.124 -0.985 . . . . 1.14 111.399 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -121.89 158.04 29.86 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.035 -1.098 . . . . 1.23 108.035 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -147.69 158.5 44.04 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.912 -1.144 . . . . 2.9 107.912 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.709 ' CE2' HD12 ' A' ' 92' ' ' ILE . 83.2 m-85 -128.66 158.5 38.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.251 -0.905 . . . . 1.16 109.554 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 118.192 -0.908 . . . . 1.98 108.722 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.266 0.555 . . . . 2.8 110.421 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.64 127.75 36.39 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.203 -0.936 . . . . 1.66 109.026 179.137 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.564 HD13 ' C ' ' A' ' 27' ' ' LEU . 1.4 tm? -53.75 -59.28 4.82 Favored 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 113.01 0.744 . . . . 1.54 113.01 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 51.7 p-90 -68.23 -34.27 75.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.546 -1.347 . . . . 1.16 110.903 -178.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.464 ' H ' ' HG3' ' A' ' 26' ' ' GLN . 18.8 tt0 -59.97 -43.81 94.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.613 -1.304 . . . . 2.34 107.906 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -67.0 -48.82 67.25 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.881 -0.512 . . . . 0.86 110.055 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.26 -49.23 78.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.268 -0.895 . . . . 1.52 109.393 -178.535 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -66.29 -32.96 74.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 1.91 109.235 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.89 -41.08 90.82 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.571 -1.27 . . . . 2.46 107.571 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.81 -36.18 78.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 1.54 109.357 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' CB ' ' HE1' ' A' ' 46' ' ' TRP . 7.5 mp -65.72 -25.24 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.012 -1.055 . . . . 1.45 109.279 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.8 p -121.6 62.58 0.92 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.246 -0.909 . . . . 1.68 110.757 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -132.57 -74.34 0.5 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.275 -1.009 . . . . 3.08 108.275 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.585 ' H ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -118.0 -163.52 0.95 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.723 -0.61 . . . . 3.33 109.41 179.332 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.55 ' C ' ' H ' ' A' ' 41' ' ' GLN . 73.6 m -70.54 -47.06 62.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.053 . . . . 2.66 110.528 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 44' ' ' ILE . 6.8 t 57.6 0.36 0.1 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.113 -0.992 . . . . 2.22 108.786 -178.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.55 ' H ' ' C ' ' A' ' 39' ' ' SER . 1.5 tm0? -60.67 -39.99 90.46 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.155 -0.966 . . . . 3.09 109.839 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -77.93 -11.9 59.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.638 -0.664 . . . . 2.41 109.537 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -111.78 -12.83 13.79 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.728 -0.607 . . . . 1.56 110.068 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.592 HG22 ' SG ' ' A' ' 40' ' ' CYS . 9.3 tt -165.65 -176.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.863 -1.148 . . . . 1.14 108.227 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -114.24 107.76 16.03 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.017 -1.052 . . . . 1.71 110.682 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.48 ' HE1' ' CB ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.58 112.72 25.83 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 106.967 -1.494 . . . . 1.46 106.967 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.828 HG21 ' H ' ' A' ' 52' ' ' GLU . 11.2 t -49.53 -173.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.814 0.816 . . . . 2.04 111.413 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.3 -108.29 0.06 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.57 -1.012 . . . . 1.95 110.57 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.19 12.38 24.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.404 -1.056 . . . . 3.56 111.036 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.75 -116.93 0.9 Allowed Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.861 -2.096 . . . . 1.32 107.861 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.46 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 27.7 t-105 -170.31 37.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -1.104 . . . . 1.06 109.686 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.828 ' H ' HG21 ' A' ' 47' ' ' THR . 79.9 mm-40 -96.42 104.68 16.67 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.923 -1.51 . . . . 2.5 106.923 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 40.2 t80 -98.98 119.18 37.33 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.599 -0.688 . . . . 0.82 109.71 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -116.61 134.99 54.18 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.558 0.694 . . . . 2.34 109.575 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HG ' HD11 ' A' ' 44' ' ' ILE . 10.5 mp -90.4 104.49 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.415 -0.803 . . . . 1.3 110.42 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.3 m -76.47 -68.32 0.6 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.265 -0.897 . . . . 1.6 108.871 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' ASP . 65.2 t0 -146.58 75.31 12.3 Favored Pre-proline 0 N--CA 1.5 2.042 0 O-C-N 120.936 -1.103 . . . . 2.54 110.909 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.55 55.75 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.371 1.381 . . . . 1.09 109.492 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 37.2 p-10 -71.39 -37.15 71.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.794 -1.191 . . . . 2.89 110.229 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 79.4 mm-40 -84.91 -34.4 22.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.961 -1.087 . . . . 3.15 109.443 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.32 -43.89 94.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.32 -0.862 . . . . 0.8 109.46 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.63 87.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.303 -0.873 . . . . 0.84 109.259 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -59.6 -44.23 93.47 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.464 -0.939 . . . . 3.69 108.464 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.443 HH11 ' HG3' ' A' ' 64' ' ' ARG . 21.7 ttm-85 -67.13 -33.31 75.16 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.829 -0.804 . . . . 3.46 108.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CD1' HD21 ' A' ' 79' ' ' LEU . 6.9 t-105 -59.82 -43.2 94.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.518 -0.739 . . . . 1.08 109.089 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.33 -25.43 28.48 Favored Glycine 0 N--CA 1.496 2.665 0 C-N-CA 120.464 -0.874 . . . . 1.09 111.113 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -63.41 -41.52 98.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.869 -1.371 . . . . 2.71 109.589 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.53 -23.23 62.66 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.225 -0.922 . . . . 3.88 108.644 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -90.81 4.6 51.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.494 -0.754 . . . . 2.56 109.752 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.86 55.27 7.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.908 . . . . 3.49 110.227 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -127.95 150.06 72.53 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.271 -1.011 . . . . 2.35 108.271 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -48.72 -79.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.112 1.208 . . . . 2.96 110.403 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -134.69 149.33 50.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.201 -0.937 . . . . 5.24 109.9 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 ttm -126.26 115.29 19.48 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.374 -0.602 . . . . 2.41 109.374 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -71.07 159.81 34.04 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 1.48 109.34 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.543 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 57.9 t80 -66.71 -20.53 65.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.689 -0.856 . . . . 1.07 108.689 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.904 -1.122 . . . . 2.53 110.401 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -59.35 -35.33 73.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 4.23 109.067 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 65' ' ' TRP . 1.3 mm? -63.24 -41.2 99.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.604 -0.888 . . . . 1.17 108.604 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.3 m -59.19 -43.25 92.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.039 -1.038 . . . . 1.39 109.996 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.57 -40.08 84.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.728 -1.233 . . . . 4.74 110.113 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.53 -45.75 6.35 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.01 -1.091 . . . . 0.8 110.742 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -63.77 -43.96 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.213 -1.169 . . . . 1.57 108.869 -179.328 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -58.8 -44.29 90.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 2.34 109.822 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 55.0 t80 -76.38 -10.99 59.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.1 -1.0 . . . . 1.39 109.129 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 31.6 t80 -72.28 3.05 5.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.248 -0.907 . . . . 1.27 111.53 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.8 m-85 -75.96 66.99 2.26 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.629 -1.294 . . . . 1.65 108.112 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.91 -55.78 5.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.241 -0.912 . . . . 2.74 110.758 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.564 ' CG ' ' H ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -117.14 -90.39 0.56 Allowed 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.671 0.748 . . . . 2.52 109.302 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.564 ' H ' ' CG ' ' A' ' 89' ' ' LYS . 76.9 m-20 -158.72 90.36 1.0 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.119 -0.697 . . . . 2.8 109.119 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.982 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -136.56 -89.38 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.89 . . . . 1.28 111.345 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.982 ' H ' HG23 ' A' ' 91' ' ' ILE . 6.7 tt -96.83 127.45 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.873 -1.142 . . . . 1.09 109.24 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -120.06 159.97 23.73 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.644 0.735 . . . . 1.79 109.39 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.536 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 21.8 pttp -97.04 140.0 32.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.471 -0.768 . . . . 2.83 109.916 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 97' ' ' GLY . 85.5 m -90.97 133.8 34.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.444 -0.785 . . . . 1.24 109.52 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.53 18.6 0.55 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 2.47 110.473 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.592 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.25 -81.68 0.6 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.55 -1.42 . . . . 2.32 109.55 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.0 tttm -105.96 -161.83 0.83 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.287 -1.125 . . . . 3.6 108.815 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.423 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 97.9 mtt180 -98.07 -23.85 15.58 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.042 -1.036 . . . . 5.66 110.909 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.2 20.28 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.106 -0.996 . . . . 1.27 110.447 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.441 HG21 ' H ' ' A' ' 98' ' ' LYS . 11.5 m -92.34 128.15 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.785 -1.197 . . . . 1.14 111.644 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 52.7 m-85 -125.27 155.79 39.6 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.567 -0.901 . . . . 1.23 108.567 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -150.13 158.93 44.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.912 . . . . 2.9 108.578 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 92' ' ' ILE . 60.2 m-85 -130.82 157.96 41.47 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.446 -0.784 . . . . 1.16 109.793 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.444 HG23 ' OXT' ' A' ' 105' ' ' VAL . 4.9 m . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 118.195 -0.907 . . . . 1.98 109.756 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.641 HD12 ' HB2' ' A' ' 30' ' ' PHE . 47.4 pt . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.763 0.792 . . . . 2.8 111.102 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 11.5 tm0? -88.04 153.56 21.18 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.044 -1.095 . . . . 1.66 108.044 179.191 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.565 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 9.8 tt -59.38 -55.46 34.38 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.661 -1.275 . . . . 1.54 112.016 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 66.0 p-90 -77.62 -31.77 53.06 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.438 -1.414 . . . . 1.16 111.299 -178.423 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -58.98 -39.97 83.38 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.604 -1.628 . . . . 2.34 106.604 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.641 ' HB2' HD12 ' A' ' 25' ' ' ILE . 54.0 t80 -68.22 -51.7 42.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.244 -0.65 . . . . 0.86 109.244 178.131 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -58.86 -50.48 73.85 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.261 -1.385 . . . . 1.52 107.261 179.669 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.94 -46.45 89.36 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.617 -0.677 . . . . 1.91 110.365 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.44 -41.65 98.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.95 -1.093 . . . . 2.46 108.441 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -69.8 -41.62 74.8 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.025 -1.102 . . . . 1.54 108.025 179.394 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.04 -38.17 70.23 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 1.45 109.384 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -93.14 49.02 1.37 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.42 -0.8 . . . . 1.68 110.991 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -106.44 150.53 25.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.152 -0.968 . . . . 3.08 108.961 178.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.5 tppp? -70.23 -15.74 62.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.46 -0.775 . . . . 3.33 110.955 -179.168 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -72.05 62.31 0.46 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.358 -1.464 . . . . 2.66 107.7 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 41.4 t -82.0 -72.22 0.45 Allowed 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.698 0.761 . . . . 2.22 111.196 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' A' ' 42' ' ' SER . 35.3 mt-30 -66.66 150.47 49.0 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.638 -0.664 . . . . 3.09 110.888 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.558 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 5.5 p 84.65 -26.13 0.11 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.607 -0.516 . . . . 2.41 109.607 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 95.1 m-85 -123.67 -29.89 3.66 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.545 -0.722 . . . . 1.56 110.31 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.611 ' CG1' ' H ' ' A' ' 45' ' ' SER . 5.2 tt -165.76 -169.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.99 -1.069 . . . . 1.14 109.927 -178.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.611 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 15.2 t -137.4 124.79 21.93 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.012 -1.055 . . . . 1.71 111.177 -178.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.402 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -111.2 114.0 26.9 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 107.526 -1.287 . . . . 1.46 107.526 178.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.2 p -64.97 151.77 45.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.869 -1.144 . . . . 2.04 109.676 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.36 37.57 3.75 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.17 -1.572 . . . . 1.95 109.17 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -108.07 -123.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.442 -0.948 . . . . 3.56 108.442 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.31 0.35 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.277 -1.529 . . . . 1.32 109.277 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.43 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 56.5 t-105 -141.8 78.14 1.62 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.227 -1.16 . . . . 1.06 108.725 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -125.58 123.92 40.1 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.699 -1.223 . . . . 2.5 107.699 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -113.94 127.6 56.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.41 -0.806 . . . . 0.82 109.441 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -115.37 134.26 55.27 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.785 0.802 . . . . 2.34 109.979 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.84 115.75 27.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.632 -0.668 . . . . 1.3 109.377 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 41.1 p -79.17 -72.27 0.4 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.025 -1.047 . . . . 1.6 110.049 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 56' ' ' SER . 40.5 t0 -144.44 69.77 15.6 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 120.777 -1.202 . . . . 2.54 110.37 -179.772 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -62.62 56.09 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.663 1.576 . . . . 1.09 111.023 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 91.2 m-20 -74.3 -33.09 63.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.179 -1.575 . . . . 2.89 109.861 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -85.35 -34.36 21.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.975 -1.078 . . . . 3.15 109.222 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.65 -43.04 90.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.086 -0.709 . . . . 0.8 109.086 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.85 95.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 0.84 109.836 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 63' ' ' ARG . 16.5 mtt-85 -64.08 -42.68 96.87 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.136 -1.026 . . . . 3.69 108.786 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -66.14 -36.43 83.1 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.711 -0.796 . . . . 3.46 109.145 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -60.0 -40.86 90.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.218 -0.926 . . . . 1.08 109.425 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.95 -29.8 19.48 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.383 -1.087 . . . . 1.09 110.383 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -61.62 -43.92 97.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -1.217 . . . . 2.71 109.719 -179.086 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 1.2 mmp_? -62.25 -10.73 11.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.443 -0.786 . . . . 3.88 109.709 179.619 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -95.78 13.69 25.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.215 -0.928 . . . . 2.56 108.866 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 57.12 49.78 13.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.134 -0.979 . . . . 3.49 109.543 -179.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 72' ' ' PRO . 13.3 mptt -130.51 161.3 61.58 Favored Pre-proline 0 N--CA 1.503 2.202 0 N-CA-C 108.238 -1.023 . . . . 2.35 108.238 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.1 Cg_endo -59.26 -150.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.905 0 N-CA-C 108.442 -1.407 . . . . 2.96 108.442 178.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -86.94 130.17 34.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.521 -1.362 . . . . 5.24 108.972 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.01 136.95 52.56 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.536 0.684 . . . . 2.41 109.698 -179.135 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -74.6 174.01 9.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.761 . . . . 1.48 110.613 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.04 -17.44 63.26 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.431 0.634 . . . . 1.07 109.701 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.91 -36.4 74.65 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.923 -1.11 . . . . 2.53 110.005 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -31.44 68.65 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.671 -1.268 . . . . 4.23 109.652 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.19 -48.69 67.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.814 -1.179 . . . . 1.17 109.302 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 99.6 p -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.914 -1.116 . . . . 1.39 109.056 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.588 ' O ' ' NH1' ' A' ' 84' ' ' ARG . 82.8 mtm180 -63.41 -41.41 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 4.74 109.574 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.4 -43.41 6.57 Favored Glycine 0 N--CA 1.496 2.644 0 O-C-N 120.927 -1.108 . . . . 0.8 111.604 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.623 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -61.03 -49.75 76.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.849 -1.383 . . . . 1.57 109.819 -178.608 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.623 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -55.24 -45.15 76.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.436 -1.415 . . . . 2.34 109.026 -178.799 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.435 ' N ' ' CG ' ' A' ' 84' ' ' ARG . 75.6 t80 -58.63 -18.44 30.51 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.787 -1.196 . . . . 1.39 108.645 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -75.41 63.64 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.286 -0.884 . . . . 1.27 110.428 -179.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.623 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 39.8 m-85 -117.43 6.74 12.64 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.281 -1.007 . . . . 1.65 108.281 177.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -70.56 -42.95 70.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 2.74 109.175 -179.32 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -104.51 134.23 48.04 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.14 -1.059 . . . . 2.52 108.14 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -80.89 86.69 6.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.74 -1.208 . . . . 2.8 107.74 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.525 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -136.01 -40.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 107.946 -1.131 . . . . 1.28 107.946 -178.882 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.416 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 10.5 tt -140.12 133.54 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.465 -0.772 . . . . 1.09 109.354 179.384 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -135.43 156.0 49.62 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.716 -0.846 . . . . 1.79 108.716 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -77.09 150.57 35.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.328 -0.857 . . . . 2.83 110.31 -179.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 97' ' ' GLY . 38.7 m -86.95 143.7 27.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 1.24 108.383 179.184 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.78 10.52 0.67 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.367 -0.833 . . . . 2.47 109.854 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -81.84 -103.96 0.39 Allowed Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.116 -1.594 . . . . 2.32 109.116 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.47 ' H ' HG21 ' A' ' 101' ' ' VAL . 61.1 mttm -102.08 176.46 5.19 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.477 -1.014 . . . . 3.6 109.208 179.799 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -81.92 -9.08 59.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.482 -0.761 . . . . 5.66 110.157 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -98.53 -9.0 25.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.95 . . . . 1.27 110.004 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.47 HG21 ' H ' ' A' ' 98' ' ' LYS . 10.5 m -95.48 137.28 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.692 -1.255 . . . . 1.14 111.292 -179.059 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -114.61 170.8 8.05 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.495 -0.753 . . . . 1.23 109.676 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.414 ' HD3' ' H ' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -153.05 156.81 39.46 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.953 -1.128 . . . . 2.9 107.953 -179.803 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.43 ' HB2' ' HE1' ' A' ' 51' ' ' TRP . 31.4 m-85 -130.66 163.05 28.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.199 -0.938 . . . . 1.16 110.67 -179.235 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.097 -0.954 . . . . 1.98 108.882 179.93 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.446 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.3 tt . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 108.533 -0.914 . . . . 2.8 108.533 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.809 ' NE2' ' H ' ' A' ' 29' ' ' GLN . 1.5 tm0? -80.47 158.09 25.99 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.237 -0.915 . . . . 1.66 110.09 -179.371 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.547 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -53.6 -78.06 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 113.212 0.819 . . . . 1.54 113.212 -176.47 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.656 ' CD1' ' NE2' ' A' ' 26' ' ' GLN . 66.2 p-90 -56.65 -25.42 53.45 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.203 -1.561 . . . . 1.16 111.004 -176.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.809 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 8.6 mm100 -64.01 -40.56 96.63 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.322 -1.362 . . . . 2.34 107.322 177.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 25.9 t80 -65.72 -52.63 49.72 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.527 -0.733 . . . . 0.86 109.371 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.81 -44.48 89.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 1.52 110.618 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.75 -43.15 89.78 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.149 -0.969 . . . . 1.91 110.536 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.2 -45.73 90.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.971 -1.08 . . . . 2.46 109.142 -178.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -67.59 -31.01 70.77 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.605 -0.887 . . . . 1.54 108.605 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.64 -40.22 86.94 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.246 -0.909 . . . . 1.45 110.609 -178.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -110.16 65.4 0.62 Allowed 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.317 -0.864 . . . . 1.68 109.855 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -135.81 -125.5 0.15 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.608 0.718 . . . . 3.08 109.49 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 169.76 0.48 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.33 -0.857 . . . . 3.33 110.145 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -75.5 104.88 6.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 2.66 107.715 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.6 t -86.25 0.88 52.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.22 109.561 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.2 -30.45 64.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.054 -1.029 . . . . 3.09 109.771 -179.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -80.38 -15.02 57.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.112 -0.992 . . . . 2.41 109.158 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -114.68 -10.35 12.47 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.219 -0.926 . . . . 1.56 109.495 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.645 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 7.3 tt -161.6 -171.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.142 -0.973 . . . . 1.14 109.197 -179.315 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.452 ' H ' HG12 ' A' ' 44' ' ' ILE . 46.9 t -113.98 111.89 22.4 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.027 -1.045 . . . . 1.71 110.062 -179.439 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.99 109.73 19.33 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.587 -1.264 . . . . 1.46 107.587 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 11.4 t -52.91 -177.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.837 -1.165 . . . . 2.04 110.891 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -56.93 -117.45 0.01 OUTLIER Glycine 0 N--CA 1.495 2.63 0 O-C-N 121.336 -0.853 . . . . 1.95 111.138 -179.184 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -109.84 17.29 21.34 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.946 -1.326 . . . . 3.56 111.082 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.18 -115.61 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.716 -1.753 . . . . 1.32 108.716 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -168.06 61.77 0.07 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.179 -1.189 . . . . 1.06 109.611 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.471 ' H ' ' CG2' ' A' ' 47' ' ' THR . 16.8 tp10 -122.41 102.48 8.12 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.409 -1.7 . . . . 2.5 106.409 178.389 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.645 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 29.5 t80 -106.15 119.52 39.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.488 -0.758 . . . . 0.82 110.192 -177.296 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -114.97 130.19 56.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.868 -0.79 . . . . 2.34 108.868 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.2 mp -87.64 97.96 11.16 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.543 -0.723 . . . . 1.3 110.414 -178.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 46.4 t -77.64 -60.44 2.37 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.58 -0.7 . . . . 1.6 110.42 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 56' ' ' SER . 94.9 m-20 -139.38 77.61 29.1 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.133 -0.979 . . . . 2.54 111.375 -178.549 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -76.15 57.11 5.15 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 121.684 1.589 . . . . 1.09 108.329 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.77 -41.29 68.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -0.83 . . . . 2.89 109.962 -179.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -87.08 -30.59 21.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 3.15 109.455 -178.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -68.31 -54.03 24.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.35 -0.844 . . . . 0.8 110.154 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.53 97.23 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 0.84 110.092 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.548 ' CG ' HH11 ' A' ' 63' ' ' ARG . 0.6 OUTLIER -59.4 -44.01 92.9 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.81 -1.181 . . . . 3.69 108.61 -179.799 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -74.29 -31.81 62.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.333 -0.855 . . . . 3.46 109.453 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.439 ' CD1' HD21 ' A' ' 79' ' ' LEU . 20.1 t-105 -59.94 -35.16 74.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.054 -1.029 . . . . 1.08 110.076 -179.305 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.42 -25.02 44.78 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.748 -1.341 . . . . 1.09 109.748 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -60.01 -36.06 76.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.028 -1.277 . . . . 2.71 109.606 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -58.4 -31.77 68.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.085 -1.009 . . . . 3.88 109.617 -179.435 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -98.7 7.13 46.45 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.25 -0.906 . . . . 2.56 109.534 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.99 37.86 11.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.475 -0.766 . . . . 3.49 109.094 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -140.22 69.01 34.1 Favored Pre-proline 0 N--CA 1.497 1.902 0 N-CA-C 108.952 -0.758 . . . . 2.35 108.952 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -56.37 -9.3 3.43 Favored 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 121.854 1.703 . . . . 2.96 110.437 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -90.4 24.01 2.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.864 . . . . 5.24 109.458 -179.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.4 mmm -81.36 119.05 23.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.135 -0.978 . . . . 2.41 109.433 179.586 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 21.8 p30 -72.81 169.79 16.02 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.954 0.883 . . . . 1.48 110.803 -179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -70.84 -29.62 65.8 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.653 0.74 . . . . 1.07 109.087 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.04 -30.87 69.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.32 -0.862 . . . . 2.53 110.255 -178.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.486 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 60.4 mttp -58.96 -37.3 76.46 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.881 -1.137 . . . . 4.23 109.204 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 65' ' ' TRP . 2.9 mm? -66.29 -49.23 67.76 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.012 -1.055 . . . . 1.17 109.057 179.079 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -59.47 -43.74 93.19 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.029 -1.1 . . . . 1.39 108.029 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -68.96 -43.31 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.208 -0.932 . . . . 4.74 108.616 178.378 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . -67.8 -46.81 64.9 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 110.059 -1.217 . . . . 0.8 110.059 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.689 HD22 HD12 ' A' ' 92' ' ' ILE . 7.6 mt -67.73 -30.39 69.86 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.747 -1.443 . . . . 1.57 109.887 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -50.18 -50.02 50.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.984 -1.072 . . . . 2.34 109.524 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -73.07 -22.55 60.57 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.45 -0.781 . . . . 1.39 109.877 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.467 ' HB3' HD23 ' A' ' 83' ' ' LEU . 10.5 t80 -75.98 70.05 2.65 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.503 -0.748 . . . . 1.27 109.836 -178.532 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 16.8 m-85 -140.55 22.34 2.34 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.91 -0.774 . . . . 1.65 108.91 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -78.78 -37.97 39.68 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.115 -1.068 . . . . 2.74 108.115 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -103.85 141.7 35.68 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.53 -1.285 . . . . 2.52 107.53 178.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -80.15 92.24 5.65 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.607 -1.257 . . . . 2.8 107.607 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.452 ' O ' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -139.77 -51.98 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 115.859 -0.609 . . . . 1.28 109.907 -178.181 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.691 HD13 ' C ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -129.88 128.88 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.033 -1.042 . . . . 1.09 109.862 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.586 ' N ' HD13 ' A' ' 92' ' ' ILE . 13.6 m-70 -128.94 160.17 33.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.312 -0.867 . . . . 1.79 109.478 -179.071 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.553 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 27.7 ttpp -94.75 139.38 31.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.441 -0.787 . . . . 2.83 109.594 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 97' ' ' GLY . 32.1 m -87.56 141.61 28.49 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.225 -0.922 . . . . 1.24 110.129 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.35 19.71 0.1 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.526 -0.733 . . . . 2.47 111.234 -178.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 95' ' ' THR . . . -79.27 -94.89 0.31 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 108.75 -1.74 . . . . 2.32 108.75 179.171 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.705 ' H ' HG21 ' A' ' 101' ' ' VAL . 42.0 mmtm -107.53 -179.16 3.83 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.31 -1.112 . . . . 3.6 108.312 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -80.23 -8.88 59.65 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.399 -0.813 . . . . 5.66 110.836 -178.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -106.86 11.24 30.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.085 -1.009 . . . . 1.27 110.682 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.705 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.2 t -94.92 132.51 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.892 -1.13 . . . . 1.14 111.218 -177.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CE1' HD13 ' A' ' 83' ' ' LEU . 30.6 m-85 -123.01 157.48 32.63 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.493 -0.928 . . . . 1.23 108.493 178.721 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -146.82 158.34 43.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.021 -1.049 . . . . 2.9 109.226 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.504 ' CE2' ' CG1' ' A' ' 92' ' ' ILE . 38.0 m-85 -134.36 159.94 39.47 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.584 -0.698 . . . . 1.16 110.714 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 117.828 -1.082 . . . . 1.98 109.943 -179.202 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 108.78 -0.822 . . . . 2.8 108.78 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.534 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 2.6 tm0? -76.29 146.34 38.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.82 -1.175 . . . . 1.66 108.181 -179.405 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.651 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.7 tt -75.67 -67.15 0.7 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 1.54 112.961 -177.119 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 32.5 p-90 -65.81 -30.61 71.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.439 -1.413 . . . . 1.16 112.761 -176.345 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.59 -41.5 90.44 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.217 -1.552 . . . . 2.34 108.058 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.53 -49.09 62.21 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.626 0.726 . . . . 0.86 109.392 179.291 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.44 -43.98 95.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.546 -0.721 . . . . 1.52 109.066 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 tp -67.24 -41.04 86.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.479 -0.763 . . . . 1.91 110.077 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.2 -40.02 84.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.06 -1.025 . . . . 2.46 110.021 -179.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.91 -39.43 94.16 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.918 -1.114 . . . . 1.54 110.318 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 7.3 mp -59.94 -43.28 95.08 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.17 -0.957 . . . . 1.45 110.564 -179.287 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -94.55 12.59 26.91 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.961 -1.087 . . . . 1.68 111.069 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -118.43 -92.84 0.52 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.157 -0.964 . . . . 3.08 110.811 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -52.89 165.22 0.31 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.531 -0.73 . . . . 3.33 109.646 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -66.43 -130.29 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.219 -1.03 . . . . 2.66 108.219 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ILE . 1.3 p 179.0 -42.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.864 -1.148 . . . . 2.22 109.826 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -54.61 -26.02 30.14 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.774 -0.579 . . . . 3.09 111.139 -178.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -74.91 -34.34 62.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.914 -1.116 . . . . 2.41 111.122 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CE2' ' OE1' ' A' ' 60' ' ' GLU . 71.6 m-85 -128.78 -1.93 5.35 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.171 -0.956 . . . . 1.56 111.474 -178.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.549 HD11 ' HG ' ' A' ' 55' ' ' LEU . 7.9 tt -164.39 -170.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.458 -1.401 . . . . 1.14 109.689 -178.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' HG23 ' A' ' 44' ' ' ILE . 2.8 p -132.97 120.68 21.73 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.95 -1.093 . . . . 1.71 110.313 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.414 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.14 108.56 20.13 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.09 -1.448 . . . . 1.46 107.09 179.63 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.3 p -58.27 149.19 24.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.92 -1.113 . . . . 2.04 110.084 -179.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.32 47.07 1.11 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.577 -1.409 . . . . 1.95 109.577 179.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -117.43 -118.63 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.491 -1.005 . . . . 3.56 108.787 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.4 -86.47 0.97 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.449 -1.46 . . . . 1.32 109.449 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 68.9 t-105 -146.16 57.88 1.21 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.095 -1.238 . . . . 1.06 109.627 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 58.0 mp0 -104.8 120.92 42.53 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.804 -0.813 . . . . 2.5 108.804 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.421 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 64.0 t80 -117.72 128.26 54.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.38 -0.825 . . . . 0.82 109.294 -179.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -127.07 133.93 50.37 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 122.095 0.95 . . . . 2.34 109.866 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.8 mp -86.51 97.81 10.7 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.856 -0.528 . . . . 1.3 110.396 -179.185 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.4 m -78.19 -59.99 2.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 1.6 110.279 179.36 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -134.0 78.66 59.07 Favored Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 121.31 -0.869 . . . . 2.54 110.363 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -75.19 54.42 3.73 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 C-N-CA 121.401 1.401 . . . . 1.09 109.544 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.45 -41.55 69.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.824 -1.172 . . . . 2.89 110.648 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE1' ' CE2' ' A' ' 43' ' ' PHE . 68.8 mt-10 -87.71 -33.92 18.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.686 -1.259 . . . . 3.15 109.721 -179.242 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.65 -45.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.277 -0.89 . . . . 0.8 108.983 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.08 80.96 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.305 -0.872 . . . . 0.84 109.177 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -68.79 -43.9 74.69 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 3.69 109.89 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.76 -39.93 95.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.227 -0.921 . . . . 3.46 110.035 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.82 -37.44 71.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.115 -0.991 . . . . 1.08 108.761 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.37 -22.01 49.41 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.844 -1.303 . . . . 1.09 109.844 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -65.81 -35.95 82.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.96 -1.317 . . . . 2.71 109.659 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -57.44 -38.64 74.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.266 -0.896 . . . . 3.88 108.905 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.91 14.56 31.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.721 . . . . 2.56 109.514 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 58.23 51.97 7.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.729 -0.607 . . . . 3.49 110.528 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -140.89 69.85 29.5 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.047 -1.033 . . . . 2.35 109.546 178.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -72.61 -4.77 15.92 Favored 'Trans proline' 0 C--N 1.319 -1.006 0 C-N-CA 122.028 1.819 . . . . 2.96 111.35 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -99.1 7.97 45.37 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.858 -1.151 . . . . 5.24 111.769 -178.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.4 mmt -88.84 123.07 32.87 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.65 -1.281 . . . . 2.41 109.394 179.48 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.417 ' ND2' ' CG ' ' A' ' 77' ' ' GLU . 52.8 p-10 -67.3 -179.89 1.11 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.93 0.872 . . . . 1.48 111.183 -179.161 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.92 -20.4 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.067 -0.716 . . . . 1.07 109.067 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' CG ' ' ND2' ' A' ' 75' ' ' ASN . 65.4 mm-40 -60.09 -31.87 70.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 2.53 108.941 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -55.22 -38.07 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.716 -0.846 . . . . 4.23 108.716 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 83' ' ' LEU . 9.5 mt -66.9 -39.4 87.41 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.302 -0.873 . . . . 1.17 108.664 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.8 m -65.05 -47.02 78.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.96 -1.088 . . . . 1.39 109.884 179.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.25 -33.82 76.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.112 -0.993 . . . . 4.74 109.894 -179.084 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.2 -55.3 1.73 Allowed Glycine 0 N--CA 1.492 2.378 0 C-N-CA 120.291 -0.957 . . . . 0.8 110.853 -178.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 83' ' ' LEU . 2.6 tt -61.48 -38.01 85.74 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.117 -1.225 . . . . 1.57 110.123 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -59.87 -50.46 73.69 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.183 -1.573 . . . . 2.34 109.349 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.413 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 63.0 t80 -57.37 -11.78 2.07 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.987 -1.071 . . . . 1.39 109.2 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -74.06 9.4 1.59 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.586 -0.696 . . . . 1.27 111.213 -178.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -76.81 13.04 1.11 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.686 -1.259 . . . . 1.65 109.262 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.25 -40.05 71.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 2.74 108.441 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -108.32 135.12 50.17 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.819 -0.808 . . . . 2.52 108.819 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -82.53 86.87 6.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.046 -1.034 . . . . 2.8 108.329 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.669 HD13 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -130.23 -57.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.815 -1.18 . . . . 1.28 107.815 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.615 ' N ' HG23 ' A' ' 91' ' ' ILE . 14.9 tt -114.59 123.98 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.249 -0.907 . . . . 1.09 109.27 179.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -110.15 147.6 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.312 -0.868 . . . . 1.79 109.606 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 94' ' ' LYS . 2.1 ttmp? -91.05 154.97 19.03 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.655 -0.869 . . . . 2.83 108.655 179.699 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.586 HG22 ' H ' ' A' ' 97' ' ' GLY . 28.4 m -85.74 139.44 31.34 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.423 -1.423 . . . . 1.24 108.706 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.21 46.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.426 -0.796 . . . . 2.47 110.747 -178.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 95' ' ' THR . . . -78.55 -96.84 0.25 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.52 -1.432 . . . . 2.32 109.52 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -106.19 165.08 11.5 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.589 -0.948 . . . . 3.6 108.912 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.515 ' NH1' ' OH ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -85.8 -17.21 36.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.91 -1.119 . . . . 5.66 110.734 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -71.68 -5.56 34.69 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.772 -1.205 . . . . 1.27 110.095 -178.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.48 120.29 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-O 121.875 0.845 . . . . 1.14 110.059 178.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.519 ' CE2' HD13 ' A' ' 83' ' ' LEU . 11.2 m-85 -105.33 150.88 24.81 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.517 -0.739 . . . . 1.23 109.257 179.122 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.412 ' HG3' HH11 ' A' ' 103' ' ' ARG . 29.4 mmm-85 -142.58 164.9 28.87 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.616 -0.883 . . . . 2.9 108.616 -179.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.442 ' CE2' HD12 ' A' ' 92' ' ' ILE . 28.4 m-85 -131.15 162.05 30.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.508 -0.745 . . . . 1.16 110.273 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 118.126 -0.94 . . . . 1.98 109.776 -179.282 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.455 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 2.8 108.395 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.66 108.712 -179.736 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 1.54 111.297 -178.108 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.16 112.011 -177.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.34 108.256 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.86 108.747 178.134 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 1.52 110.492 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 32' ' ' LEU . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 1.91 109.621 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 1.54 109.377 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.45 110.587 -178.643 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 1.68 112.057 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.564 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.33 110.149 -179.359 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.66 111.326 -178.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.22 110.158 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.09 111.081 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.41 111.51 -178.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.56 109.747 -178.585 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.14 108.019 -178.27 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 1.71 110.058 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.04 109.705 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 1.95 109.273 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.32 107.908 179.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.06 109.701 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.82 108.999 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.34 110.392 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.747 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.3 108.949 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.6 109.957 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 0.8 108.835 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 0.84 108.887 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 3.69 108.871 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 3.46 110.563 179.535 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.443 ' CZ2' HD21 ' A' ' 27' ' ' LEU . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.08 110.981 -178.098 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.09 110.866 -178.294 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 2.71 108.15 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 3.88 109.578 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 2.56 108.904 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.49 110.353 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.35 108.785 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 2.96 109.728 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.24 109.121 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.41 109.491 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.48 110.612 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.07 108.55 179.029 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.23 108.965 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.17 108.572 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.39 109.117 178.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 4.74 110.627 -179.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.8 111.163 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 1.57 109.557 -178.734 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.34 108.845 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.39 109.962 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 1.65 107.49 179.484 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 2.52 109.052 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 2.8 109.113 179.221 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.83 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.28 111.335 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.83 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.09 109.372 -178.466 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.555 ' N ' HD13 ' A' ' 92' ' ' ILE . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 1.79 109.951 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 2.83 109.913 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.24 108.762 179.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.47 110.938 -178.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 95' ' ' THR . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.678 ' H ' HG21 ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.6 108.855 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 5.66 110.903 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.27 111.004 -178.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.678 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.14 111.704 -178.287 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CD1' HD23 ' A' ' 55' ' ' LEU . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.23 108.629 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 2.9 109.782 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 35' ' ' LEU . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.16 109.809 -178.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 1.98 109.771 -178.687 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.204 -0.665 . . . . 2.8 109.204 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.66 109.276 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 1.54 111.851 -178.333 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.16 109.752 -177.861 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.34 107.955 179.42 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.86 109.015 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 1.52 108.133 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 1.91 108.608 179.634 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 1.54 110.297 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.45 110.779 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 1.68 110.916 -178.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.33 109.825 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.66 107.662 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.22 109.567 179.53 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.09 111.092 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.408 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.41 111.856 -178.524 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.56 110.064 -178.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.51 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.14 109.021 -178.298 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.51 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 1.71 108.161 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.562 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.04 108.664 179.619 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 1.95 110.204 -179.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.32 110.423 -178.057 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.06 109.365 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.562 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.82 108.973 -178.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.34 110.813 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.3 110.562 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.6 109.533 178.721 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 57' ' ' ASP . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 0.8 109.186 179.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 0.84 109.628 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 3.69 108.768 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 3.46 110.912 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.435 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.08 109.062 -178.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.09 110.152 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 2.71 110.309 -179.563 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 3.88 109.532 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 2.56 109.329 -179.288 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.49 109.834 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.35 108.91 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 2.96 111.3 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.24 109.5 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.41 108.495 179.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.48 111.022 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.07 108.772 179.089 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.23 108.631 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.17 108.506 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.39 109.168 179.462 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.699 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 4.74 110.197 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.8 111.108 -178.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 1.57 108.49 -179.152 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.699 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.34 109.873 179.552 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.39 108.705 179.095 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 1.65 109.312 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 2.52 107.965 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 2.8 107.759 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.591 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.28 109.023 -178.39 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.683 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.09 110.277 -179.626 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 1.79 109.562 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 2.83 110.316 -179.038 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.24 109.242 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.47 110.617 -179.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.6 109.18 -179.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 5.66 109.177 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.27 111.123 -178.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.461 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.14 110.352 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.23 109.748 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.9 108.091 178.271 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.683 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.16 108.902 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 1.98 109.869 -178.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.459 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.739 4.924 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.459 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.948 1 O4'-C1'-N19 111.133 4.166 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 1 O4'-C1'-N19 111.286 4.358 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.824 0 O4'-C1'-N19 110.857 3.821 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.536 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.834 1 O4'-C1'-N19 111.745 4.931 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.536 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.206 1 O4'-C1'-N19 111.404 4.505 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.46 1 O4'-C1'-N19 112.03 5.287 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.503 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.331 0 O4'-C1'-N19 110.887 3.859 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.503 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.568 1 O4'-C1'-N19 111.934 5.168 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.475 " O5'" H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.497 1 O4'-C1'-N19 111.63 4.788 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 1 O4'-C1'-N19 111.352 4.44 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.424 1 O4'-C1'-N19 111.291 4.364 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 1 O4'-C1'-N19 111.284 4.355 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.689 4.861 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.52 0 C3'-C2'-C1' 106.896 2.997 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.814 1 O4'-C1'-N19 111.349 4.436 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.806 5.007 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.941 3.927 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.559 0 O4'-C1'-N19 110.553 3.441 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 0 O4'-C1'-N19 110.253 3.067 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.325 1 O4'-C1'-N19 111.623 4.779 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.182 1 O4'-C1'-N19 111.256 4.32 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.42 ' OP2' ' OD2' ' A' ' 88' ' ' ASP . . . . . . . . 0 C5'--C4' 1.539 3.56 1 O4'-C1'-N19 111.927 5.158 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.536 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.65 3.562 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.536 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 112.375 5.719 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.526 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.573 4.717 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.552 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.8 3.75 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.552 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.97 3.963 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 1 O4'-C1'-N19 112.049 5.311 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 1 O4'-C1'-N19 111.046 4.057 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 1 O4'-C1'-N19 111.176 4.22 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 0 O4'-C1'-N19 110.45 3.312 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.525 3.406 . . . . 1.57 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.841 3.802 . . . . 1.79 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 10' ' ' VAL . 10.8 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.837 -0.801 . . . . 3.34 108.837 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 13' ' ' ALA . 50.5 mm -125.71 78.92 68.61 Favored Pre-proline 0 N--CA 1.495 1.812 0 N-CA-C 109.26 -0.644 . . . . 3.52 109.26 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -68.08 4.56 1.47 Allowed 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 121.456 1.437 . . . . 3.56 108.932 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -71.33 -91.79 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.381 -0.824 . . . . 2.93 109.954 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HA ' ' H ' ' A' ' 19' ' ' TYR . . . -65.04 -4.89 5.24 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.633 -0.667 . . . . 3.29 110.172 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.74 -33.92 19.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.529 -1.357 . . . . 2.93 110.102 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.4 mt -87.0 -62.56 1.48 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.473 -0.767 . . . . 3.23 110.545 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.91 -2.24 50.6 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.534 -0.729 . . . . 3.32 111.084 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.74 75.97 0.21 Allowed Glycine 0 N--CA 1.494 2.543 0 N-CA-C 108.288 -1.925 . . . . 3.34 108.288 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.516 ' CE1' ' O ' ' A' ' 20' ' ' THR . 45.0 t80 -71.02 134.87 47.46 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.786 -0.832 . . . . 3.66 110.138 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 2.0 t -93.79 150.68 20.18 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.456 -0.777 . . . . 4.79 109.31 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.15 -4.57 68.54 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.459 -1.056 . . . . 5.2 110.459 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 20' ' ' THR . 82.8 p -126.61 146.28 50.22 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 120.833 -1.392 . . . . 4.83 109.189 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.94 76.81 1.07 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.246 -1.542 . . . . 3.71 109.246 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -57.29 137.6 82.38 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 121.072 1.181 . . . . 3.25 109.873 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.478 HG12 ' H ' ' A' ' 26' ' ' GLN . 14.5 tt -74.89 179.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 CA-C-O 121.697 0.76 . . . . 2.8 110.303 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.59 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -77.07 138.79 39.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.451 -0.781 . . . . 1.66 109.789 -179.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 27' ' ' LEU . 3.1 tm? -51.36 -63.69 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.494 -0.753 . . . . 1.54 111.397 -177.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.59 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 59.8 p-90 -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.413 -1.429 . . . . 1.16 109.391 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.504 ' H ' ' HG3' ' A' ' 26' ' ' GLN . 62.4 tt0 -68.97 -37.88 79.04 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 118.863 -1.135 . . . . 2.34 108.445 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.15 -49.12 73.39 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.329 -0.619 . . . . 0.86 109.329 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 31' ' ' LEU . 4.1 tt -63.43 -46.61 85.54 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.068 -1.086 . . . . 1.52 108.068 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.79 -40.17 91.63 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.003 -0.739 . . . . 1.91 109.003 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.38 -48.75 79.85 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.249 -0.981 . . . . 2.46 108.96 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.53 -30.05 66.7 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.076 -1.015 . . . . 1.54 108.945 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 10.7 tp -49.94 -46.72 52.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.704 -1.248 . . . . 1.45 110.371 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.9 p -81.92 56.95 3.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.783 -1.198 . . . . 1.68 107.88 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 42.6 t0 -102.52 132.11 48.79 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 121.889 0.852 . . . . 3.08 109.473 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 9.5 mmpt? -68.5 -40.28 80.93 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.46 0.648 . . . . 3.33 110.138 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -76.99 -10.77 59.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.503 -0.748 . . . . 2.66 111.047 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.544 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -51.77 -28.51 15.54 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.733 -1.187 . . . . 2.22 109.45 -179.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.13 -34.47 76.41 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.472 -1.392 . . . . 3.09 110.189 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.505 ' OG ' ' CD1' ' A' ' 43' ' ' PHE . 88.8 p -82.92 -15.52 51.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.7 -1.25 . . . . 2.41 111.014 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.505 ' CD1' ' OG ' ' A' ' 42' ' ' SER . 97.0 m-85 -119.12 -7.97 10.24 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.499 -0.75 . . . . 1.56 110.05 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 40' ' ' CYS . 11.2 tt -162.31 -177.31 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 1.14 109.605 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.49 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 75.0 m -113.26 115.21 27.82 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.067 -1.021 . . . . 1.71 110.956 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.491 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -117.45 98.53 6.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.113 -1.44 . . . . 1.46 107.113 178.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -68.32 142.5 55.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.585 -1.322 . . . . 2.04 110.273 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.43 50.17 1.64 Allowed Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.886 -1.286 . . . . 1.95 109.886 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -115.92 -112.16 0.34 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.41 -1.053 . . . . 3.56 108.946 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.8 -102.78 0.56 Allowed Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.855 -1.698 . . . . 1.32 108.855 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -144.22 82.18 1.7 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.047 -1.266 . . . . 1.06 109.858 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -131.91 131.44 42.71 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.459 -0.941 . . . . 2.5 108.459 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CG ' HD11 ' A' ' 35' ' ' LEU . 51.2 t80 -122.16 118.52 28.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.599 -0.688 . . . . 0.82 109.755 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -110.87 135.5 51.33 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.438 -0.789 . . . . 2.34 109.835 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.2 mp -94.36 100.26 12.32 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.645 -0.66 . . . . 1.3 110.301 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 84.1 p -80.02 -63.04 1.5 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.14 -0.975 . . . . 1.6 109.561 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' OG ' ' A' ' 56' ' ' SER . 82.0 m-20 -140.07 80.28 20.65 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.124 -0.985 . . . . 2.54 110.484 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -73.93 57.63 3.91 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.229 1.286 . . . . 1.09 108.9 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.95 -41.18 71.45 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.107 -0.995 . . . . 2.89 109.625 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 43' ' ' PHE . 84.8 mt-10 -88.3 -32.22 18.58 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.977 -0.749 . . . . 3.15 108.977 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.64 -43.25 96.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.162 -0.961 . . . . 0.8 108.983 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.75 75.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.046 -1.034 . . . . 0.84 109.858 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.703 HH12 ' NZ ' ' A' ' 73' ' ' LYS . 8.3 mtt-85 -60.18 -44.9 94.68 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.404 -0.919 . . . . 3.69 108.693 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -63.82 -39.04 93.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.793 -0.817 . . . . 3.46 108.793 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.736 ' HE1' ' HZ2' ' A' ' 78' ' ' LYS . 24.2 t-105 -58.52 -41.77 86.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.923 -1.111 . . . . 1.08 108.589 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.85 -17.88 64.63 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.446 -1.062 . . . . 1.09 110.446 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -66.42 -44.84 81.8 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.176 -1.191 . . . . 2.71 109.527 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -61.97 -22.03 65.31 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.446 -0.784 . . . . 3.88 108.958 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -91.98 6.21 47.2 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.391 -0.818 . . . . 2.56 109.486 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 56.69 59.01 3.75 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 3.49 110.597 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -132.11 145.9 59.35 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 107.522 -1.288 . . . . 2.35 107.522 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -60.04 -65.14 0.08 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 121.278 1.319 . . . . 2.96 110.127 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.703 ' NZ ' HH12 ' A' ' 63' ' ' ARG . 55.1 tttp -132.54 132.19 42.34 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.341 -0.985 . . . . 5.24 108.341 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.0 tpp -115.13 128.73 56.39 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.917 0.865 . . . . 2.41 109.86 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.778 HD22 ' H ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -67.45 143.41 56.25 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.785 0.802 . . . . 1.48 109.825 179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.529 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 68.7 t80 -66.61 -23.79 66.23 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.842 -0.799 . . . . 1.07 108.842 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -58.95 -28.08 65.94 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 107.228 -1.397 . . . . 2.53 107.228 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.736 ' HZ2' ' HE1' ' A' ' 65' ' ' TRP . 12.2 tmtt? -56.79 -39.89 74.94 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.934 -1.136 . . . . 4.23 107.934 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.674 HD21 ' CD1' ' A' ' 65' ' ' TRP . 2.9 mm? -66.38 -47.34 73.69 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 107.996 -1.113 . . . . 1.17 107.996 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.3 m -60.08 -44.06 95.04 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.251 -1.38 . . . . 1.39 108.773 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.518 HH11 ' H41' ' C' ' 27' ' ' ' DC' . 39.6 ttp180 -68.23 -43.0 78.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.919 -1.113 . . . . 4.74 111.275 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.53 -47.99 4.4 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.092 -1.052 . . . . 0.8 110.987 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -60.83 -47.03 88.2 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.42 -1.047 . . . . 1.57 109.562 -178.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' CZ ' ' OP2' ' B' ' 8' ' ' ' DG' . 6.8 tmm_? -54.0 -49.07 69.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.324 -1.485 . . . . 2.34 108.158 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.416 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 73.6 t80 -62.6 -5.61 2.79 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.144 -0.972 . . . . 1.39 109.843 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 88' ' ' ASP . 11.7 t80 -72.59 3.15 5.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.89 -1.131 . . . . 1.27 111.343 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.62 59.23 0.2 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.663 -1.273 . . . . 1.65 107.614 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' TYR . 65.0 m-20 -80.71 -47.68 13.65 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 2.74 110.532 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -126.05 -93.43 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.813 0.816 . . . . 2.52 109.671 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.538 HD21 HG11 ' A' ' 105' ' ' VAL . 0.4 OUTLIER -160.51 92.98 0.99 Allowed 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.807 -1.183 . . . . 2.8 107.807 -179.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.875 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -144.92 -91.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.466 -0.771 . . . . 1.28 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.875 ' H ' HG23 ' A' ' 91' ' ' ILE . 12.6 tt -93.95 120.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.389 -1.444 . . . . 1.09 110.219 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.418 ' NE2' ' ND2' ' A' ' 90' ' ' ASN . 25.1 m170 -105.3 150.08 25.48 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.481 -0.933 . . . . 1.79 108.481 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -89.54 140.08 29.89 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.754 -1.216 . . . . 2.83 109.714 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 97' ' ' GLY . 35.3 m -88.6 132.44 34.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.0 -1.063 . . . . 1.24 110.246 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.64 19.8 0.36 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.905 . . . . 2.47 109.834 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.418 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.54 -92.29 0.27 Allowed Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.909 -1.676 . . . . 2.32 108.909 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.559 ' H ' HG21 ' A' ' 101' ' ' VAL . 32.8 mmtp -103.93 -175.14 2.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.387 -1.067 . . . . 3.6 108.801 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.622 ' CG ' HH11 ' A' ' 99' ' ' ARG . 4.2 mtt-85 -85.45 -13.29 49.67 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.709 -1.245 . . . . 5.66 109.399 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -108.5 9.92 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.932 -1.105 . . . . 1.27 111.171 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.559 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.4 m -91.56 121.83 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.326 -1.484 . . . . 1.14 111.141 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.529 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 9.2 m-85 -114.07 148.42 37.11 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.009 -1.108 . . . . 1.23 108.009 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -151.11 157.1 42.32 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.087 -1.008 . . . . 2.9 109.573 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.676 ' CE2' HD12 ' A' ' 92' ' ' ILE . 46.3 m-85 -124.69 158.92 32.02 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.587 -0.894 . . . . 1.16 108.587 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.538 HG11 HD21 ' A' ' 90' ' ' ASN . 10.0 p . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 118.061 -0.971 . . . . 1.98 109.458 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.81 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.139 4.173 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.249 4.311 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.248 4.31 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.377 5.721 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C1'-N19 110.724 3.655 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.58 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C1'-N19 111.478 4.598 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.58 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.552 4.69 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.612 ' N7 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.42 1 O4'-C1'-N19 111.416 4.52 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.591 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.972 5.215 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 1 O4'-C1'-N19 111.927 5.158 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.422 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.061 4.076 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.422 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.298 4.373 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.946 5.182 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 1 O4'-C1'-N19 111.131 4.164 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.538 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 C3'-C2'-C1' 107.025 3.089 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.538 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.542 4.677 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.324 4.405 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.368 4.46 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.486 3.357 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.247 4.308 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.444 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 112.113 5.391 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.478 ' OP1' ' NZ ' ' A' ' 89' ' ' LYS . . . . . . . . 0 O4'--C1' 1.448 2.124 1 O4'-C1'-N19 111.944 5.18 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 1 O4'-C1'-N19 111.442 4.552 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.621 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.354 1 O4'-C1'-N19 111.114 4.143 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.621 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.848 5.06 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.475 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.808 3.76 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.475 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O4'-C1'-N19 110.75 3.687 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.314 4.392 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.532 ' C2 ' ' C4 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 112.402 5.752 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.532 ' C4 ' ' C2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.587 0 O4'-C1'-N19 110.457 3.321 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.527 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.572 4.715 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.417 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.17 2.963 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.407 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.945 3.931 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.407 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 110.959 3.949 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.855 -0.424 . . . . 3.34 109.855 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.6 tp -139.6 64.58 30.41 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 3.52 109.096 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.88 -3.49 12.85 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 N-CA-C 108.04 -1.562 . . . . 3.56 108.04 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.23 -51.27 47.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.782 -0.574 . . . . 2.93 110.005 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.55 67.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.295 -0.878 . . . . 3.29 108.814 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.83 -33.62 27.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.728 -0.608 . . . . 2.93 110.59 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.78 -39.23 44.76 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.126 -0.983 . . . . 3.23 109.545 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -84.03 -15.53 47.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.296 -0.878 . . . . 3.32 109.929 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.66 -7.11 9.52 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.67 -1.772 . . . . 3.34 108.67 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' H ' ' C ' ' A' ' 17' ' ' ALA . 1.2 t80 -72.17 121.1 18.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.912 -0.757 . . . . 3.66 109.765 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 21' ' ' GLY . 30.4 m -126.31 -112.11 0.29 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.738 -0.838 . . . . 4.79 108.738 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 20' ' ' THR . . . -90.88 57.53 3.31 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.74 -1.344 . . . . 5.2 109.74 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 t -106.74 40.58 1.61 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.313 -1.11 . . . . 4.83 109.312 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 170.53 47.11 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.05 -2.02 . . . . 3.71 108.05 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -68.93 129.59 18.76 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.078 1.041 . . . . 3.25 110.725 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.455 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt -84.11 -176.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 2.8 108.395 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.66 108.712 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 1.54 111.297 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.16 112.011 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.34 108.256 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.86 108.747 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 1.52 110.492 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 32' ' ' LEU . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 1.91 109.621 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 1.54 109.377 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.45 110.587 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 1.68 112.057 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.564 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.33 110.149 -179.359 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.66 111.326 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.22 110.158 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.09 111.081 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.41 111.51 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.56 109.747 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.14 108.019 -178.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 1.71 110.058 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.04 109.705 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 1.95 109.273 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.32 107.908 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.06 109.701 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.82 108.999 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.34 110.392 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.747 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.3 108.949 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.6 109.957 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 0.8 108.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 0.84 108.887 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 3.69 108.871 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 3.46 110.563 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.443 ' CZ2' HD21 ' A' ' 27' ' ' LEU . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.08 110.981 -178.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.09 110.866 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 2.71 108.15 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 3.88 109.578 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 2.56 108.904 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.49 110.353 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.35 108.785 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 2.96 109.728 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.24 109.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.41 109.491 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.48 110.612 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.07 108.55 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.23 108.965 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.17 108.572 178.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.39 109.117 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.612 ' NH1' ' N7 ' ' B' ' 8' ' ' ' DG' . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 4.74 110.627 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.8 111.163 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 1.57 109.557 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.34 108.845 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.39 109.962 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 1.65 107.49 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' NZ ' ' OP1' ' C' ' 22' ' ' ' DA' . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 2.52 109.052 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 2.8 109.113 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.83 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.28 111.335 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.83 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.09 109.372 -178.466 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.555 ' N ' HD13 ' A' ' 92' ' ' ILE . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 1.79 109.951 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 2.83 109.913 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.24 108.762 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.47 110.938 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 95' ' ' THR . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.678 ' H ' HG21 ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.6 108.855 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 5.66 110.903 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.27 111.004 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.678 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.14 111.704 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CD1' HD23 ' A' ' 55' ' ' LEU . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.23 108.629 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 2.9 109.782 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 35' ' ' LEU . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.16 109.809 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 1.98 109.771 -178.687 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.555 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.841 3.801 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.555 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.244 3.055 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.977 3.971 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C1'-N19 110.251 3.064 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 1 O4'-C1'-N19 111.688 4.86 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.599 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.223 3.029 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.599 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.695 1 O4'-C1'-N19 111.97 5.213 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.576 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.752 0 O4'-C1'-N19 110.901 3.876 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.493 ' O6 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.295 4.368 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.643 ' N6 ' HH12 ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.722 4.902 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.411 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.538 4.672 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.411 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 112.185 5.482 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 1 O4'-C1'-N19 111.368 4.46 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 111.031 4.038 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C3'-C2'-C1' 107.001 3.072 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.19 4.238 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 1 O4'-C1'-N19 111.299 4.374 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.787 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 110.861 3.826 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.608 0 O4'-C1'-N19 110.816 3.77 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.595 4.743 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.487 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.778 4.972 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.487 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.596 0 O4'-C1'-N19 110.588 3.485 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 112.159 5.449 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.51 H5'' ' HZ1' ' A' ' 69' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.256 0 O4'-C1'-N19 110.495 3.369 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.435 ' O4 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.905 5.131 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.489 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.004 1 O4'-C1'-N19 111.607 4.759 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.508 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.317 3.146 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.534 ' N2 ' ' C6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.332 4.415 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.836 5.045 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.49 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.237 0 O4'-C1'-N19 110.775 3.719 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.49 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.296 4.37 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.454 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-N19 110.272 3.091 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.486 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.912 1 O4'-C1'-N19 111.291 4.364 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.486 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.026 4.033 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.251 0.548 . . . . 3.34 109.532 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.596 ' C ' ' H ' ' A' ' 13' ' ' ALA . 1.1 pp -142.76 61.5 11.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.24 -0.913 . . . . 3.52 108.735 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.91 29.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.716 1.61 . . . . 3.56 111.257 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.596 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -103.77 -169.64 1.67 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 2.93 110.791 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -10.48 25.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.778 -0.576 . . . . 3.29 109.604 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.71 -11.58 59.89 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.607 -1.257 . . . . 2.93 107.607 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.3 tt -84.76 -66.7 0.86 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.592 -1.262 . . . . 3.23 107.592 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.13 -66.34 0.88 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.303 -0.999 . . . . 3.32 108.303 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.81 27.03 73.14 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.729 -0.948 . . . . 3.34 110.729 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE1' HD12 ' A' ' 25' ' ' ILE . 34.1 p90 -74.18 133.73 42.75 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.977 -1.308 . . . . 3.66 109.561 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.528 ' C ' ' H ' ' A' ' 22' ' ' SER . 73.4 p -94.64 -158.12 0.61 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.258 -0.901 . . . . 4.79 110.078 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.73 8.22 0.14 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.508 -1.037 . . . . 5.2 110.508 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 20' ' ' THR . 39.3 m -98.32 131.33 44.71 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.073 -1.251 . . . . 4.83 108.069 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.64 64.15 4.33 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.358 -1.497 . . . . 3.71 109.358 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -57.87 121.97 10.93 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 120.758 0.972 . . . . 3.25 109.897 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.409 HD12 ' CE1' ' A' ' 19' ' ' TYR . 81.6 mt -77.38 152.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.232 -0.917 . . . . 2.8 109.204 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.66 109.276 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 1.54 111.851 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.16 109.752 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.34 107.955 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.86 109.015 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 1.52 108.133 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 1.91 108.608 179.634 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 1.54 110.297 -179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.45 110.779 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 1.68 110.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.33 109.825 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.66 107.662 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.22 109.567 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.09 111.092 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.408 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.41 111.856 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.56 110.064 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.51 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.14 109.021 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.51 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 1.71 108.161 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.562 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.04 108.664 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 1.95 110.204 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.32 110.423 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.06 109.365 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.562 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.82 108.973 -178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.34 110.813 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.3 110.562 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.6 109.533 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 57' ' ' ASP . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 0.8 109.186 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 0.84 109.628 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 3.69 108.768 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 3.46 110.912 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.435 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.08 109.062 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.09 110.152 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 2.71 110.309 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 3.88 109.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.51 ' HZ1' H5'' ' C' ' 24' ' ' ' DT' . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 2.56 109.329 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.49 109.834 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.35 108.91 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 2.96 111.3 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.24 109.5 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.41 108.495 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.48 111.022 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.07 108.772 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.23 108.631 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.17 108.506 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.39 109.168 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.699 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 4.74 110.197 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.8 111.108 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 1.57 108.49 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.699 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.34 109.873 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.39 108.705 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 1.65 109.312 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 2.52 107.965 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 2.8 107.759 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.591 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.28 109.023 -178.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.683 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.09 110.277 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 1.79 109.562 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 2.83 110.316 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.24 109.242 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.47 110.617 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.6 109.18 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 5.66 109.177 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.27 111.123 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.461 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.14 110.352 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.23 109.748 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.9 108.091 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.683 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.16 108.902 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 1.98 109.869 -178.872 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.45 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.592 0 O4'-C1'-N19 110.765 3.706 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.45 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.197 0 O4'-C1'-N19 110.966 3.958 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.693 3.616 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.252 0 O4'-C1'-N19 110.894 3.867 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C1'-N19 112.214 5.517 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.318 0 C3'-C2'-C1' 106.681 2.843 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.48 ' N4 ' ' OE2' ' A' ' 77' ' ' GLU . . . . . . . . 1 C5'--C4' 1.547 4.451 1 O4'-C1'-N19 112.061 5.326 . . . . 1.38 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.449 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.157 1 O4'-C1'-N19 111.109 4.136 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.449 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 111.505 4.631 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 1 O4'-C1'-N19 111.519 4.649 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.445 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.861 1 O4'-C1'-N19 111.282 4.352 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.445 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.075 1 O4'-C1'-N19 111.705 4.881 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.337 1 O4'-C1'-N19 111.734 4.918 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.265 4.331 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.085 0 O4'-C1'-N19 110.4 3.25 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.442 H2'' " O5'" ' B' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.329 4.411 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . 0.442 " O5'" H2'' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.711 4.888 . . . . 2.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.805 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.841 3.801 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.416 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.321 0 O4'-C1'-N19 110.409 3.261 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.416 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.401 1 O4'-C1'-N19 111.078 4.097 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.498 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.011 1 O4'-C1'-N19 111.753 4.941 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.498 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.443 0 O4'-C1'-N19 110.942 3.928 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 1 O4'-C1'-N19 112.027 5.284 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.586 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.224 1 O4'-C1'-N19 111.068 4.086 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.586 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.824 5.03 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.567 ' H41' ' CZ ' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.484 4.606 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.577 ' H41' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.723 0 O4'-C1'-N19 110.646 3.557 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.565 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.514 1 O4'-C1'-N19 111.315 4.393 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.446 ' N2 ' ' C2 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C1'-N19 112.114 5.393 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.446 ' C2 ' ' N2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.391 0 O4'-C1'-N19 110.889 3.861 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.602 4.752 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.623 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.501 3.377 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.409 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.993 0 O4'-C1'-N19 110.593 3.491 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.409 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.304 0 O4'-C1'-N19 110.841 3.801 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 10' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.359 -0.608 . . . . 3.34 109.359 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -135.12 48.43 2.9 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.533 -0.729 . . . . 3.52 109.307 179.43 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 1.2 Cg_endo -56.96 -10.19 5.35 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 121.294 1.329 . . . . 3.56 109.41 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HD13 ' A' ' 11' ' ' ILE . . . -58.62 -37.98 77.04 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.53 -0.731 . . . . 2.93 109.21 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -33.66 74.04 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.406 -0.961 . . . . 3.29 108.406 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.82 -19.7 28.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.289 -0.882 . . . . 2.93 110.782 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.416 ' O ' ' OE2' ' A' ' 33' ' ' GLU . 88.0 mt -78.83 -27.04 44.2 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.387 -1.446 . . . . 3.23 107.933 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.25 -174.9 4.37 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.806 -1.183 . . . . 3.32 107.806 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.32 10.8 85.92 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 108.395 -1.882 . . . . 3.34 108.395 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CE1' HD12 ' A' ' 25' ' ' ILE . 39.9 p90 -69.47 128.24 35.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.503 -0.998 . . . . 3.66 109.291 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.9 p -99.84 11.93 38.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.425 -0.797 . . . . 4.79 110.093 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.81 -42.37 59.45 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.104 -1.198 . . . . 5.2 110.104 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -101.96 10.42 39.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.469 -1.018 . . . . 4.83 109.137 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.42 -124.3 7.56 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 108.999 -1.64 . . . . 3.71 108.999 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -53.86 139.84 68.77 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 CA-C-N 119.256 1.528 . . . . 3.25 109.665 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.457 HD12 ' CE1' ' A' ' 19' ' ' TYR . 43.9 mm -75.75 136.9 23.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.52 -0.737 . . . . 2.8 109.568 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.554 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 5.9 tm0? -88.51 149.91 23.38 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.594 -1.262 . . . . 1.66 107.594 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.3 tt -58.97 -56.06 27.07 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.759 -1.213 . . . . 1.54 111.949 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.605 ' N ' HD23 ' A' ' 27' ' ' LEU . 58.6 p-90 -73.22 -35.75 66.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.251 -1.53 . . . . 1.16 111.272 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' CD ' ' OH ' ' A' ' 19' ' ' TYR . 7.7 tt0 -53.81 -44.0 69.81 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 119.988 -1.695 . . . . 2.34 107.762 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.08 -42.67 98.94 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.837 -0.801 . . . . 0.86 108.837 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -61.15 -50.24 73.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.117 -0.989 . . . . 1.52 109.386 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD21 ' CD2' ' A' ' 104' ' ' PHE . 3.6 mm? -60.55 -43.93 96.69 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.981 -1.074 . . . . 1.91 110.093 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 16' ' ' LEU . 61.4 tt0 -60.84 -49.36 77.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.758 -1.214 . . . . 2.46 108.44 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.7 -39.72 91.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.288 -0.882 . . . . 1.54 109.913 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 9.2 tt -57.46 -39.61 76.69 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.216 -0.927 . . . . 1.45 109.444 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -113.44 70.44 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.508 -0.745 . . . . 1.68 109.791 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 37' ' ' ASP . 23.2 p-10 -115.31 -135.46 0.35 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.561 -0.712 . . . . 3.08 109.712 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -59.55 -143.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.935 -1.103 . . . . 3.33 111.042 -178.596 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 41' ' ' GLN . 23.0 t -63.43 -39.51 94.68 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.145 -0.972 . . . . 2.66 110.057 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 38' ' ' LYS . 1.8 m 70.43 -19.05 0.22 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.011 -1.056 . . . . 2.22 109.293 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' H ' ' C ' ' A' ' 39' ' ' SER . 38.6 mm-40 -63.48 -33.04 74.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.47 -0.769 . . . . 3.09 111.044 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.9 m -79.22 -19.31 51.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.95 -1.094 . . . . 2.41 111.257 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.14 -12.92 8.62 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.022 -1.049 . . . . 1.56 110.514 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.521 ' CG1' ' H ' ' A' ' 45' ' ' SER . 9.1 tt -163.2 -175.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.033 -1.042 . . . . 1.14 109.368 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.521 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 12.0 t -120.19 124.11 44.91 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.71 -1.244 . . . . 1.71 110.701 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.73 106.16 13.55 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.631 -1.618 . . . . 1.46 106.631 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.0 p -66.98 156.84 34.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.902 -1.124 . . . . 2.04 110.193 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.38 60.77 1.54 Allowed Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.373 -1.491 . . . . 1.95 109.373 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.547 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 31.5 t70 -122.43 -153.48 0.55 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.215 -1.032 . . . . 3.56 108.215 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.547 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -77.98 -61.89 2.45 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 108.623 -1.791 . . . . 1.32 108.623 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -150.66 69.99 1.0 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.178 -1.189 . . . . 1.06 108.18 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -119.42 98.94 6.38 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.456 -1.313 . . . . 2.5 107.456 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' TYR . 58.4 t80 -109.77 133.06 53.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.321 -0.862 . . . . 0.82 110.669 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -133.94 142.05 47.55 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 122.332 1.063 . . . . 2.34 109.989 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.1 mp -90.58 100.26 13.14 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.886 -0.597 . . . . 1.3 110.564 -178.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 31.0 t -79.47 -62.56 1.65 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.955 . . . . 1.6 110.492 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 56' ' ' SER . 87.7 m-20 -137.66 77.67 38.87 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 121.226 -0.921 . . . . 2.54 111.399 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.51 58.31 4.49 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 N-CA-C 109.206 -1.113 . . . . 1.09 109.206 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.92 -41.58 61.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.886 -1.134 . . . . 2.89 109.708 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -80.06 -34.21 38.37 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.5 -0.926 . . . . 3.15 108.5 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.63 -42.95 87.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.485 -0.759 . . . . 0.8 109.991 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.32 91.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.956 -1.09 . . . . 0.84 109.082 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.416 HH11 ' HG3' ' A' ' 63' ' ' ARG . 9.1 ttm-85 -61.2 -47.08 87.78 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.609 -0.886 . . . . 3.69 108.609 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -66.87 -41.43 87.27 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.27 -0.894 . . . . 3.46 110.664 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.576 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 10.8 t-105 -62.17 -46.2 90.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.122 -0.986 . . . . 1.08 110.013 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.79 -49.7 47.15 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 120.102 -1.047 . . . . 1.09 110.748 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -66.69 -7.35 20.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.944 -1.327 . . . . 2.71 110.117 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -58.11 -38.89 77.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.886 -1.133 . . . . 3.88 109.337 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -102.94 30.51 4.74 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.406 -0.809 . . . . 2.56 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 55.98 57.3 5.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.199 -0.938 . . . . 3.49 110.018 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 72' ' ' PRO . 61.0 mttm -129.16 154.13 80.47 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 121.415 -0.803 . . . . 2.35 109.728 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 71' ' ' LYS . 3.0 Cg_exo -52.84 -159.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 121.61 1.54 . . . . 2.96 110.566 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -88.41 123.6 33.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.887 -1.133 . . . . 5.24 109.829 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 19.6 mmt -111.58 137.36 49.53 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.432 -0.793 . . . . 2.41 109.85 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.51 173.0 7.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.601 -0.687 . . . . 1.48 110.015 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.516 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 62.4 t80 -69.83 -15.74 63.15 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.35 -0.844 . . . . 1.07 109.882 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.48 ' OE2' ' N4 ' ' B' ' 7' ' ' ' DC' . 61.6 tt0 -56.53 -32.87 65.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -0.915 . . . . 2.53 108.638 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.576 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 11.6 tmtt? -55.98 -42.69 76.7 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.562 -0.711 . . . . 4.23 109.552 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 76' ' ' TYR . 6.9 mt -68.0 -41.35 82.4 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.451 -0.781 . . . . 1.17 109.933 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.5 p -60.85 -46.71 89.5 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.689 -1.257 . . . . 1.39 109.34 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.577 ' NH1' ' H41' ' C' ' 27' ' ' ' DC' . 45.6 ttp180 -77.68 -42.31 35.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.326 -0.859 . . . . 4.74 109.756 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.4 -48.71 22.98 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 120.18 -1.009 . . . . 0.8 111.593 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.62 -30.78 70.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.66 -1.494 . . . . 1.57 110.7 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -53.16 -37.06 61.53 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.878 -1.139 . . . . 2.34 109.434 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.568 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 36.6 t80 -73.47 -14.79 61.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.047 -1.033 . . . . 1.39 109.723 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.495 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 4.5 t80 -70.98 6.94 1.32 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.104 -0.998 . . . . 1.27 111.625 -177.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.521 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 8.8 m-85 -77.14 15.8 0.66 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.681 -1.262 . . . . 1.65 109.639 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -73.06 -36.66 66.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.84 -1.163 . . . . 2.74 108.865 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -109.24 136.52 48.57 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.825 -1.176 . . . . 2.52 107.825 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -78.04 91.41 4.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.701 -1.249 . . . . 2.8 109.123 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -136.19 -46.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 115.766 -0.652 . . . . 1.28 109.344 -179.191 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.595 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 4.6 tt -137.26 136.16 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.159 -0.963 . . . . 1.09 110.004 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -134.13 149.43 51.07 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.959 -0.756 . . . . 1.79 108.959 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.521 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 67.0 mttm -81.27 144.82 31.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.135 -0.978 . . . . 2.83 110.635 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 97' ' ' GLY . 94.1 m -91.47 127.95 37.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.648 -0.658 . . . . 1.24 109.648 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.96 26.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.355 -0.841 . . . . 2.47 110.362 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 95' ' ' THR . . . -80.52 -69.02 1.42 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.092 -1.203 . . . . 2.32 110.092 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.531 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.3 tptm -113.32 -133.79 0.34 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.291 -1.003 . . . . 3.6 108.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.43 ' H ' ' CG ' ' A' ' 98' ' ' LYS . 88.2 mtm180 -121.1 -32.92 3.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.297 -0.877 . . . . 5.66 109.588 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -107.13 26.41 10.19 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.319 -0.863 . . . . 1.27 109.805 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.531 HG21 ' H ' ' A' ' 98' ' ' LYS . 4.6 m -91.21 124.01 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 120.735 -1.228 . . . . 1.14 109.906 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.516 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 14.6 m-85 -118.15 145.41 44.93 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.756 -0.831 . . . . 1.23 108.756 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -146.92 159.31 43.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 2.9 109.387 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 23.0 m-85 -130.01 162.92 27.62 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.581 0.705 . . . . 1.16 109.851 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.934 -1.031 . . . . 1.98 109.838 -179.396 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.212 1 O4'-C1'-N19 111.231 4.289 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C1'-N19 110.389 3.236 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.882 3.853 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 1 O4'-C1'-N19 111.214 4.267 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.517 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.336 1 O4'-C1'-N19 111.633 4.791 . . . . 1.25 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.517 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.216 4.27 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.602 ' N3 ' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.316 1 O4'-C1'-N19 111.566 4.707 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.583 ' N7 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.743 4.929 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.517 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.791 1 O4'-C1'-N19 111.625 4.781 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 1 O4'-C1'-N19 111.496 4.619 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.407 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.299 1 O4'-C1'-N19 111.187 4.234 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.407 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.389 1 O4'-C1'-N19 112.452 5.815 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.463 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.707 3.633 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.463 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.73 4.912 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.48 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 110.334 3.167 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.48 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.109 4.136 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.431 0 O4'-C1'-N19 110.94 3.925 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.404 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.098 0 O4'-C1'-N19 110.61 3.512 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.052 1 O4'-C1'-N19 111.228 4.285 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.02 4.025 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.55 ' C6 ' ' N6 ' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 111.993 5.241 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.55 ' N6 ' ' C6 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.51 1 O4'-C1'-N19 111.09 4.113 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.432 ' OP1' ' CE2' ' A' ' 86' ' ' TYR . . . . . . . . 0 C5'--C4' 1.53 2.315 1 O4'-C1'-N19 111.513 4.641 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.456 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.887 1 O4'-C1'-N19 111.047 4.059 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.456 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.436 1 O4'-C1'-N19 111.457 4.571 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.446 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.112 1 O4'-C1'-N19 111.519 4.648 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.446 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.267 3.084 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.579 ' H22' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.42 1 O4'-C1'-N19 111.652 4.815 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.882 1 O4'-C1'-N19 111.941 5.176 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.481 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.755 0 O4'-C1'-N19 110.794 3.743 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.481 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.034 1 O4'-C1'-N19 111.516 4.645 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 1 O4'-C1'-N19 111.219 4.273 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.497 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.786 1 O4'-C1'-N19 111.071 4.089 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.497 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.789 3.736 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 10' ' ' VAL . 7.4 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.531 0.681 . . . . 3.34 109.176 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.5 tp -147.68 62.46 6.97 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 121.093 -1.004 . . . . 3.52 108.805 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 1.5 Cg_endo -62.53 -13.3 32.54 Favored 'Trans proline' 0 C--N 1.318 -1.037 0 N-CA-C 108.003 -1.576 . . . . 3.56 108.003 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.539 ' N ' ' OD1' ' A' ' 37' ' ' ASP . . . -49.32 -53.74 20.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.174 -0.954 . . . . 2.93 109.158 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -19.7 65.67 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.651 -0.87 . . . . 3.29 108.651 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' PRO . . . -81.68 -33.25 31.34 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.389 -0.819 . . . . 2.93 109.749 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 16' ' ' LEU . 8.0 mp -84.86 -16.69 40.39 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.798 -1.189 . . . . 3.23 109.961 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' TYR . . . -79.83 -89.08 0.06 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.917 -1.114 . . . . 3.32 108.732 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . 45.38 23.46 0.8 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.403 -1.479 . . . . 3.34 109.403 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' ALA . 41.8 p90 -68.51 158.68 33.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.997 -1.296 . . . . 3.66 108.86 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' SER . 70.0 m -84.49 145.37 28.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.164 -0.96 . . . . 4.79 110.19 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.22 84.56 0.01 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.651 -1.379 . . . . 5.2 109.651 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' THR . 49.0 m -105.35 31.55 4.84 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.332 -0.988 . . . . 4.83 108.332 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.39 -170.3 35.41 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 107.814 -2.114 . . . . 3.71 107.814 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' CA ' HH22 ' A' ' 68' ' ' ARG . 6.5 Cg_exo -56.19 140.5 87.55 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 N-CA-C 109.549 -0.981 . . . . 3.25 109.549 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.454 HD12 ' HB2' ' A' ' 30' ' ' PHE . 21.3 pt -76.34 168.73 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.106 -0.996 . . . . 2.8 109.686 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.576 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 4.8 tm0? -83.12 153.15 24.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.381 -0.825 . . . . 1.66 109.026 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.4 tm? -60.51 -58.34 8.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 1.54 110.821 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.538 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 50.9 p-90 -75.16 -38.09 61.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.015 -1.053 . . . . 1.16 112.021 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 18.8 tt0 -51.63 -40.13 59.35 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.323 -1.486 . . . . 2.34 107.505 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' HD12 ' A' ' 25' ' ' ILE . 80.4 t80 -62.25 -46.58 88.18 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.79 -0.764 . . . . 0.86 109.729 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.56 -39.59 88.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 1.52 108.346 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.23 -49.77 76.29 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.84 -1.163 . . . . 1.91 110.789 -178.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -67.94 -36.32 79.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.296 -1.503 . . . . 2.46 109.286 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -40.69 76.3 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.19 -1.041 . . . . 1.54 108.19 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.6 tp -51.16 -49.78 60.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.193 -0.942 . . . . 1.45 111.304 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.2 p -87.74 56.58 3.96 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.539 -1.35 . . . . 1.68 111.174 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 13' ' ' ALA . 27.7 t70 -112.49 130.25 56.06 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.305 -0.998 . . . . 3.08 108.305 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -28.35 68.58 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.317 -0.864 . . . . 3.33 110.636 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.41 -7.03 47.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 2.66 109.628 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.604 ' O ' HG22 ' A' ' 44' ' ' ILE . 62.8 m -58.33 -47.31 84.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.919 -1.113 . . . . 2.22 110.72 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.49 -23.63 10.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.536 -1.353 . . . . 3.09 110.267 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 t -73.29 -43.46 60.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.953 -1.092 . . . . 2.41 111.935 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.72 15.08 15.43 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 120.792 -1.193 . . . . 1.56 111.504 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 40' ' ' CYS . 15.0 tt -164.46 -174.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.764 -1.21 . . . . 1.14 109.269 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.513 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 47.2 t -127.86 129.18 46.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.27 1.033 . . . . 1.71 110.846 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.428 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -114.43 112.07 22.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 106.981 -1.488 . . . . 1.46 106.981 179.171 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' TRP . 65.8 p -58.11 -158.84 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.007 -1.058 . . . . 2.04 110.629 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -60.46 -135.27 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.264 -0.898 . . . . 1.95 111.047 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -106.12 13.7 28.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -1.014 . . . . 3.56 110.408 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.61 -114.78 0.39 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.497 -1.841 . . . . 1.32 108.497 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -155.34 35.44 0.37 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.059 -1.259 . . . . 1.06 109.025 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -98.29 96.72 8.25 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.473 -1.306 . . . . 2.5 107.473 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 102' ' ' TYR . 49.1 t80 -108.65 129.57 55.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.702 -0.624 . . . . 0.82 109.813 -177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 138.35 53.64 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 121.817 0.818 . . . . 2.34 110.188 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 55' ' ' LEU . 9.4 mp -90.13 97.05 10.96 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 116.025 -0.534 . . . . 1.3 109.734 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -80.7 -54.1 5.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 1.6 110.18 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.6 m-20 -134.11 77.43 61.51 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.295 -0.878 . . . . 2.54 110.412 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -72.17 38.54 0.37 Allowed 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.16 1.24 . . . . 1.09 109.235 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 57' ' ' ASP . 94.6 m-20 -68.02 -42.98 79.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.012 -1.055 . . . . 2.89 110.543 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -80.41 -35.22 35.46 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.151 -0.968 . . . . 3.15 109.001 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.5 t -67.09 -40.3 85.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.739 -0.601 . . . . 0.8 110.121 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.56 97.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.84 109.526 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -61.23 -41.84 97.56 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.211 -0.996 . . . . 3.69 108.521 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -68.46 -39.96 81.23 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.112 -0.992 . . . . 3.46 109.73 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -62.24 -37.55 85.86 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.303 -0.999 . . . . 1.08 108.303 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.28 -32.53 80.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.161 -1.576 . . . . 1.09 109.161 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.75 -22.21 64.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.324 -1.104 . . . . 2.71 110.023 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.511 HH22 ' CA ' ' A' ' 24' ' ' PRO . 25.4 tpt180 -57.78 -43.69 85.73 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.355 -0.84 . . . . 3.88 109.535 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -98.55 23.49 8.52 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.685 -0.634 . . . . 2.56 109.675 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.8 m120 56.91 50.33 12.46 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.566 -0.709 . . . . 3.49 110.882 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -120.42 149.47 49.91 Favored Pre-proline 0 N--CA 1.504 2.25 0 N-CA-C 108.456 -0.942 . . . . 2.35 108.456 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.4 -83.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.726 0 N-CA-C 109.125 -1.144 . . . . 2.96 109.125 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -136.02 140.21 43.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.403 -0.81 . . . . 5.24 109.139 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -130.87 151.94 50.74 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.912 -0.773 . . . . 2.41 108.912 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -70.03 162.4 28.23 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.339 -0.851 . . . . 1.48 111.187 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.575 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 88.3 t80 -76.37 -16.58 59.7 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.915 -1.143 . . . . 1.07 107.915 178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' OE2' ' N4 ' ' B' ' 7' ' ' ' DC' . 41.8 tp10 -58.21 -30.1 66.22 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.752 -0.833 . . . . 2.53 108.752 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 51.8 pttt -59.89 -36.05 76.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 4.23 109.538 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.0 mt -67.57 -36.72 81.46 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.991 -0.684 . . . . 1.17 109.323 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 77' ' ' GLU . 71.6 p -61.21 -36.91 81.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.104 -0.998 . . . . 1.39 109.835 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.602 ' NH2' ' N3 ' ' B' ' 7' ' ' ' DC' . 19.4 mmt180 -83.12 -31.14 27.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.957 -1.089 . . . . 4.74 109.689 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.9 -40.92 6.91 Favored Glycine 0 N--CA 1.495 2.633 0 O-C-N 120.85 -1.156 . . . . 0.8 110.881 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.63 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -69.93 -42.81 72.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.822 -1.399 . . . . 1.57 110.902 -178.442 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.608 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -59.97 -36.98 78.3 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.002 -1.686 . . . . 2.34 109.42 -178.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -69.82 -11.98 61.28 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.363 -0.836 . . . . 1.39 109.376 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.498 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.9 t80 -75.6 1.13 15.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.849 . . . . 1.27 110.186 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.524 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.7 m-85 -67.22 3.8 1.11 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.961 -1.087 . . . . 1.65 109.122 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 86' ' ' TYR . 79.8 m-20 -68.36 -33.0 73.49 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.99 -1.069 . . . . 2.74 108.368 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -116.61 134.05 55.29 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.071 -1.085 . . . . 2.52 108.071 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 31.5 p-10 -80.23 88.9 5.46 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.053 -1.03 . . . . 2.8 109.102 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.5 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -136.63 -48.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.124 -1.436 . . . . 1.28 107.124 179.509 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.499 HD12 ' CE2' ' A' ' 104' ' ' PHE . 10.4 tt -133.49 128.07 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.479 -0.763 . . . . 1.09 109.489 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -122.77 137.69 54.85 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.717 0.77 . . . . 1.79 109.039 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 3.5 ttmp? -74.97 140.09 43.41 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.602 -0.888 . . . . 2.83 108.602 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.9 m -88.85 131.67 34.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 1.24 109.636 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.11 33.13 0.49 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.046 -1.034 . . . . 2.47 109.323 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.6 -72.49 1.24 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.679 -1.769 . . . . 2.32 108.679 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -111.62 -119.81 0.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.623 -0.928 . . . . 3.6 108.94 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.535 ' CG ' HH11 ' A' ' 99' ' ' ARG . 0.5 OUTLIER -131.95 -39.52 1.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.266 -0.896 . . . . 5.66 110.688 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -102.65 26.76 7.59 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.232 -0.918 . . . . 1.27 110.05 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 101' ' ' VAL . 6.0 m -90.39 120.53 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 CA-C-O 122.231 1.015 . . . . 1.14 110.679 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.575 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 5.4 m-85 -113.56 135.29 54.06 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.393 -0.966 . . . . 1.23 108.393 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -146.78 158.92 44.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.129 -0.982 . . . . 2.9 108.523 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.499 ' CE2' HD12 ' A' ' 92' ' ' ILE . 48.6 m-85 -118.73 155.03 31.81 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.339 0.59 . . . . 1.16 109.909 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.948 -1.025 . . . . 1.98 109.101 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.471 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.502 1 O4'-C1'-N19 111.414 4.518 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 1 O4'-C1'-N19 111.095 4.119 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.289 4.361 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 0 O4'-C1'-N19 110.827 3.784 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.111 1 O4'-C1'-N19 111.946 5.182 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.488 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.493 0 O4'-C1'-N19 110.602 3.503 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.488 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.278 1 O4'-C1'-N19 111.082 4.103 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.57 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.41 4.512 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.57 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.706 1 O4'-C1'-N19 111.567 4.708 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.798 4.997 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.471 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.354 4.442 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.471 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.151 1 O4'-C1'-N19 111.99 5.237 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.43 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 111.393 4.491 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.43 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.121 1 O4'-C1'-N19 111.126 4.157 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.426 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.103 0 O4'-C1'-N19 110.114 2.893 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.426 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 111.378 4.472 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.257 4.321 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.776 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.876 3.845 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 1 O4'-C1'-N19 111.034 4.042 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 1 O4'-C1'-N19 111.093 4.116 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.477 ' C6 ' ' N6 ' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.076 1 O4'-C1'-N19 111.142 4.177 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.477 ' N6 ' ' C6 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.977 0 O4'-C1'-N19 110.829 3.786 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.163 1 O4'-C1'-N19 111.512 4.64 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.486 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.994 0 O4'-C1'-N19 110.873 3.841 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.486 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.584 1 O4'-C1'-N19 111.672 4.841 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.565 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.997 1 O4'-C1'-N19 111.101 4.126 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.622 ' N4 ' HH21 ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.297 0 O4'-C1'-N19 110.655 3.569 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.519 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.419 1 O4'-C1'-N19 111.619 4.774 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.938 5.173 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.413 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.831 1 O4'-C1'-N19 111.013 4.017 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.413 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-N19 110.981 3.976 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.362 3.202 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.503 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.784 3.73 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.503 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.662 0 O4'-C1'-N19 110.968 3.96 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.367 -0.605 . . . . 3.34 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.6 tp -137.92 63.06 36.64 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.663 -0.866 . . . . 3.52 108.663 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' LEU . 13.9 Cg_endo -69.53 -1.92 9.12 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.09 1.193 . . . . 3.56 109.024 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.68 -55.91 8.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.335 -0.853 . . . . 2.93 109.917 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -29.69 69.12 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.429 -0.794 . . . . 3.29 109.093 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.88 -11.06 54.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.522 -0.736 . . . . 2.93 110.376 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.593 HD21 ' OD2' ' A' ' 37' ' ' ASP . 44.2 mt -85.05 -17.35 37.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.061 -1.024 . . . . 3.23 109.401 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -78.71 -111.74 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.12 -1.067 . . . . 3.32 108.12 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.48 -22.38 0.23 Allowed Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.749 -1.215 . . . . 3.34 110.187 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.545 ' OH ' ' NH1' ' A' ' 68' ' ' ARG . 33.7 p90 -68.75 176.67 2.89 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.73 -1.453 . . . . 3.66 109.0 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.434 ' H ' HG22 ' A' ' 20' ' ' THR . 0.1 OUTLIER -84.84 122.1 28.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.956 -1.09 . . . . 4.79 109.785 -178.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.46 60.16 1.18 Allowed Glycine 0 N--CA 1.483 1.798 0 N-CA-C 110.162 -1.175 . . . . 5.2 110.162 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -104.21 80.15 1.68 Allowed 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 107.377 -1.342 . . . . 4.83 107.377 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.59 171.58 47.16 Favored Glycine 0 N--CA 1.484 1.889 0 N-CA-C 108.607 -1.797 . . . . 3.71 108.607 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.77 139.77 82.18 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.402 1.401 . . . . 3.25 109.839 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 11.6 tt -74.67 179.87 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 107.855 -1.165 . . . . 2.8 107.855 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.564 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -76.59 140.28 40.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.554 -1.341 . . . . 1.66 108.31 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.3 tt -62.46 -53.62 52.21 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.418 0.896 . . . . 1.54 113.418 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.5 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.7 p-90 -76.54 -34.11 58.53 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.557 -1.34 . . . . 1.16 111.605 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -59.98 -39.23 84.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 2.34 108.266 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -73.19 -50.61 21.55 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.8 . . . . 0.86 109.185 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.07 -42.66 95.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.06 -1.025 . . . . 1.52 109.478 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.07 -43.63 98.43 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.077 -1.015 . . . . 1.91 109.413 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.16 -44.35 95.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.161 -0.962 . . . . 2.46 109.457 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.68 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.6 tm? -69.31 -42.91 74.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.252 -0.905 . . . . 1.54 110.017 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 53' ' ' PHE . 8.6 tt -61.21 -33.69 73.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.328 -0.857 . . . . 1.45 110.626 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.0 p -103.33 8.98 38.17 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 120.868 -1.145 . . . . 1.68 111.939 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.593 ' OD2' HD21 ' A' ' 16' ' ' LEU . 65.6 t0 -107.61 -73.09 0.7 Allowed 'General case' 0 N--CA 1.508 2.472 0 O-C-N 120.799 -1.188 . . . . 3.08 111.241 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.78 159.73 1.57 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.108 -0.995 . . . . 3.33 109.512 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.536 ' OG ' ' N ' ' A' ' 40' ' ' CYS . 19.2 t -67.25 -132.15 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.076 -1.083 . . . . 2.66 108.076 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.536 ' N ' ' OG ' ' A' ' 39' ' ' SER . 24.5 p -171.42 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.933 -1.105 . . . . 2.22 110.181 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -71.68 63.56 0.43 Allowed 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.33 -0.856 . . . . 3.09 109.613 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' CYS . 45.4 t -163.16 -49.8 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.933 -0.765 . . . . 2.41 108.933 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -126.84 -0.11 6.66 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 1.56 110.321 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.5 ' CG1' ' H ' ' A' ' 45' ' ' SER . 10.3 tt -162.58 -176.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.643 -1.286 . . . . 1.14 110.167 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.5 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 78.6 p -130.98 126.66 36.59 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.771 -1.205 . . . . 1.71 110.553 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.52 110.39 19.18 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.339 -1.356 . . . . 1.46 107.339 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -62.66 152.02 36.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.693 -1.254 . . . . 2.04 109.693 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.04 30.4 9.4 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.988 -1.245 . . . . 1.95 109.988 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -108.01 -108.38 0.32 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.251 -1.147 . . . . 3.56 109.434 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.27 -104.46 0.43 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.92 -1.672 . . . . 1.32 108.92 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -139.2 58.03 1.64 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.464 -1.021 . . . . 1.06 108.854 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -100.55 121.27 41.3 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.261 -1.014 . . . . 2.5 108.261 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.469 ' CD2' HD11 ' A' ' 35' ' ' LEU . 54.0 t80 -118.27 125.65 50.53 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.588 -0.695 . . . . 0.82 110.497 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' C ' HD12 ' A' ' 55' ' ' LEU . 8.9 mtmp? -116.85 137.72 52.01 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.463 -0.773 . . . . 2.34 111.049 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.3 mp -97.58 103.2 15.12 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.586 -0.696 . . . . 1.3 110.061 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -78.76 -66.06 0.91 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 1.6 109.836 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -144.22 81.65 11.32 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.552 -0.718 . . . . 2.54 109.798 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.96 55.04 5.13 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 121.371 1.38 . . . . 1.09 109.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.74 -39.37 70.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.194 . . . . 2.89 110.0 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -74.62 -40.39 61.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.834 -1.166 . . . . 3.15 109.054 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.3 t -63.98 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.637 -0.664 . . . . 0.8 110.099 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.86 95.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.967 -1.083 . . . . 0.84 109.554 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.15 -43.94 95.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.969 -1.082 . . . . 3.69 109.514 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 9.1 mpt_? -66.76 -39.69 87.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.109 -0.995 . . . . 3.46 109.613 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -59.31 -42.32 91.1 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.274 -0.891 . . . . 1.08 110.149 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.35 -23.17 77.62 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.695 -1.241 . . . . 1.09 110.113 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -66.31 -44.05 84.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -1.199 . . . . 2.71 110.086 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.545 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -63.48 -15.73 58.61 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.141 -0.975 . . . . 3.88 110.037 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -92.75 9.08 36.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.202 -0.936 . . . . 2.56 109.11 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 58.74 35.91 24.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 3.49 109.296 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' PRO . 32.2 mtmm -143.67 155.04 60.12 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.495 -0.753 . . . . 2.35 109.272 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.4 Cg_exo -53.28 -157.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.899 0 C-N-CA 121.811 1.674 . . . . 2.96 110.649 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -87.69 140.88 29.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 5.24 109.378 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.6 mtp -122.89 160.86 25.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.794 -0.817 . . . . 2.41 108.794 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.445 ' CG ' ' HZ3' ' A' ' 78' ' ' LYS . 46.9 p30 -64.9 163.96 13.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.909 -1.119 . . . . 1.48 110.074 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.582 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 53.3 t80 -67.06 -12.56 60.27 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.668 -0.645 . . . . 1.07 110.154 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' OE1' ' ND2' ' A' ' 75' ' ' ASN . 94.8 mt-10 -59.26 -36.94 76.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.188 -0.945 . . . . 2.53 110.309 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HZ3' ' CG ' ' A' ' 75' ' ' ASN . 12.6 mptt -57.52 -36.0 70.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.839 -1.163 . . . . 4.23 109.038 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.39 -41.97 79.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.928 . . . . 1.17 109.374 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -69.31 -35.09 75.62 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.99 -1.069 . . . . 1.39 108.594 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.622 HH21 ' N4 ' ' C' ' 27' ' ' ' DC' . 8.0 mtp180 -78.04 -43.07 30.38 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.499 -0.75 . . . . 4.74 111.467 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.32 -42.64 8.46 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.761 -1.212 . . . . 0.8 111.156 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.761 ' O ' HD23 ' A' ' 83' ' ' LEU . 4.8 tt -66.75 -41.36 87.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.038 -1.272 . . . . 1.57 110.495 -178.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' NH2' ' N7 ' ' B' ' 9' ' ' ' DG' . 4.6 ppt_? -53.74 -33.91 57.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.476 -1.39 . . . . 2.34 109.505 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -77.03 -7.42 55.63 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.098 -1.001 . . . . 1.39 109.757 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.495 ' CE2' HD22 ' A' ' 27' ' ' LEU . 3.1 t80 -72.99 6.35 2.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 1.27 110.161 -177.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.9 m-85 -69.75 8.91 0.59 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.896 -1.127 . . . . 1.65 109.407 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 86' ' ' TYR . 76.7 m-20 -70.36 -39.98 74.3 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.725 -1.213 . . . . 2.74 107.725 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -110.14 133.18 53.48 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.056 -1.09 . . . . 2.52 108.056 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -78.02 89.9 4.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.933 -1.104 . . . . 2.8 108.828 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -138.27 -44.9 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.719 -0.845 . . . . 1.28 108.719 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 83' ' ' LEU . 5.8 tt -137.41 137.24 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.238 -0.914 . . . . 1.09 109.497 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 14.7 m-70 -131.93 163.94 27.24 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 109.071 -0.715 . . . . 1.79 109.071 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -100.04 139.56 35.54 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.16 -0.963 . . . . 2.83 109.14 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -89.81 132.0 35.47 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.83 -1.169 . . . . 1.24 109.345 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.37 32.61 0.45 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.242 -0.911 . . . . 2.47 109.328 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.07 -76.26 0.96 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.92 -1.672 . . . . 2.32 108.92 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -110.27 -117.87 0.29 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.635 -0.921 . . . . 3.6 108.528 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -134.26 -31.41 1.11 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.02 -1.05 . . . . 5.66 110.176 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -104.67 24.4 11.82 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.223 -0.923 . . . . 1.27 109.398 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.99 124.05 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.939 -1.101 . . . . 1.14 110.459 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 12.3 m-85 -120.24 149.18 42.68 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 108.586 -0.894 . . . . 1.23 108.586 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -151.24 158.71 44.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.038 -1.039 . . . . 2.9 109.993 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' A' ' 92' ' ' ILE . 19.1 m-85 -129.23 158.23 39.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.528 -0.732 . . . . 1.16 109.925 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.498 1.969 0 CA-C-O 117.956 -1.021 . . . . 1.98 109.393 -179.635 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.816 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.123 4.153 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.168 1 O4'-C1'-N19 111.279 4.349 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.406 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.636 1 O4'-C1'-N19 111.008 4.01 . . . . 1.42 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.406 ' C2 ' ' C2 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.524 1 O4'-C1'-N19 111.269 4.336 . . . . 1.3 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.403 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.878 1 O4'-C1'-N19 111.678 4.847 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.403 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.418 0 O4'-C1'-N19 110.691 3.614 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.601 H2'' " O5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.547 4.534 1 O4'-C1'-N19 111.334 4.418 . . . . 1.38 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.601 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.945 5.181 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.591 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 112.245 5.557 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.415 1 O4'-C1'-N19 111.578 4.722 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.479 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.492 4.615 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.479 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.644 4.805 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.04 1 O4'-C1'-N19 111.089 4.111 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.019 1 O4'-C1'-N19 111.072 4.09 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.509 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.539 0 C3'-C2'-C1' 107.001 3.072 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.509 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.016 0 O4'-C1'-N19 110.926 3.908 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.297 4.372 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.855 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.467 0 O4'-C1'-N19 110.852 3.815 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.429 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.17 0 O4'-C1'-N19 110.32 3.15 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.245 4.307 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 1 O4'-C1'-N19 111.222 4.277 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 1 O4'-C1'-N19 111.25 4.312 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.667 4.833 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.445 " C3'" ' HZ3' ' A' ' 69' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.253 0 C3'-C2'-C1' 107.333 3.309 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.686 4.858 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.467 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.968 1 O4'-C1'-N19 111.258 4.323 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.467 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.435 3.294 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.431 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 1 O4'-C1'-N19 111.148 4.185 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 112.086 5.358 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.451 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.478 1 O4'-C1'-N19 111.129 4.162 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.451 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.058 1 O4'-C1'-N19 111.314 4.393 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.475 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.447 3.309 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.418 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.157 4.196 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.418 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.346 0 O4'-C1'-N19 110.859 3.824 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 10' ' ' VAL . 28.5 m . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.739 0.781 . . . . 3.34 109.648 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 1.4 tp -142.36 45.45 0.65 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.015 -1.053 . . . . 3.52 109.651 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 12.1 Cg_endo -66.83 -6.92 16.88 Favored 'Trans proline' 0 C--O 1.209 -0.971 0 C-N-CA 121.217 1.278 . . . . 3.56 109.536 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.79 84.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.21 -0.931 . . . . 2.93 109.896 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.2 81.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 3.29 109.732 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.29 -18.84 26.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.065 -1.022 . . . . 2.93 110.098 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' PRO . 56.7 tp -80.18 -49.19 12.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.994 -1.066 . . . . 3.23 109.203 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -82.05 -9.09 59.66 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.339 -0.85 . . . . 3.32 109.283 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.43 -8.04 3.25 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.93 -1.668 . . . . 3.34 108.93 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' H ' ' C ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -74.24 113.42 11.43 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.569 -0.96 . . . . 3.66 109.192 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.9 p -91.66 173.33 7.94 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.399 -0.813 . . . . 4.79 108.969 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.18 78.49 0.16 Allowed Glycine 0 N--CA 1.49 2.3 0 C-N-CA 120.114 -1.041 . . . . 5.2 110.616 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 t -125.69 84.76 2.31 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.418 -1.048 . . . . 4.83 109.135 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.7 160.11 19.4 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 108.682 -1.767 . . . . 3.71 108.682 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -66.49 124.67 12.75 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.098 1.199 . . . . 3.25 110.742 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.585 ' CG1' ' H ' ' A' ' 26' ' ' GLN . 6.6 tt -79.07 -172.55 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 108.015 -1.106 . . . . 2.8 108.015 177.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.585 ' H ' ' CG1' ' A' ' 25' ' ' ILE . 4.4 tm0? -79.05 157.35 28.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.637 -1.289 . . . . 1.66 109.054 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.57 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -70.15 -66.08 0.64 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.136 -0.978 . . . . 1.54 111.432 -178.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 53.6 p-90 -68.46 -29.85 68.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.769 -1.207 . . . . 1.16 111.878 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.98 -39.98 87.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.221 -1.549 . . . . 2.34 107.417 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CZ ' ' NH1' ' A' ' 64' ' ' ARG . 31.9 t80 -69.3 -54.52 14.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.583 0.706 . . . . 0.86 109.843 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.17 -43.41 95.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 1.52 109.301 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.83 -43.43 93.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 1.91 109.644 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -61.62 -42.68 99.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.105 -0.997 . . . . 2.46 109.185 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.97 -40.16 83.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.398 -0.814 . . . . 1.54 109.308 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.457 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 5.6 mp -59.72 -43.78 94.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.966 -1.084 . . . . 1.45 108.578 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -94.56 63.28 2.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.316 -0.865 . . . . 1.68 109.701 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 55.4 t0 -131.94 -135.62 0.19 Allowed 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.409 -0.96 . . . . 3.08 108.409 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.522 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -62.47 -165.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.255 -0.903 . . . . 3.33 108.778 179.635 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.601 ' C ' ' H ' ' A' ' 41' ' ' GLN . 71.0 m -67.7 -44.75 76.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.677 -1.264 . . . . 2.66 110.957 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 44' ' ' ILE . 24.2 t 58.34 -1.34 0.1 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.203 -0.936 . . . . 2.22 108.898 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.601 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.9 tt0 -60.09 -37.78 80.96 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.511 -0.743 . . . . 3.09 110.641 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -78.39 -12.95 60.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 2.41 110.046 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -110.06 -11.39 14.63 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.402 -0.811 . . . . 1.56 109.863 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.62 HD11 ' HG ' ' A' ' 55' ' ' LEU . 8.3 tt -162.3 -176.14 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.051 -1.031 . . . . 1.14 108.819 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.428 ' H ' HG12 ' A' ' 44' ' ' ILE . 8.9 p -115.67 103.67 10.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.197 -0.939 . . . . 1.71 110.227 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -102.92 109.77 21.45 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.288 -1.745 . . . . 1.46 106.288 178.144 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -67.75 150.95 48.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.867 -1.146 . . . . 2.04 109.61 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.2 39.4 2.88 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.149 -1.58 . . . . 1.95 109.149 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -109.62 -114.32 0.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.373 -0.973 . . . . 3.56 108.373 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.47 -98.28 0.64 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.319 -1.512 . . . . 1.32 109.319 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.424 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 66.3 t-105 -139.76 57.85 1.62 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.375 -1.074 . . . . 1.06 108.773 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -104.01 113.21 26.58 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.611 -0.885 . . . . 2.5 108.611 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 52.7 t80 -107.42 124.96 50.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.706 -0.621 . . . . 0.82 109.401 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -119.63 130.54 55.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.64 -0.662 . . . . 2.34 109.564 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 44' ' ' ILE . 8.8 mp -88.73 94.85 10.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 1.3 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 m -78.06 -58.89 3.02 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.408 -0.808 . . . . 1.6 111.368 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -140.14 78.27 23.97 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.161 -0.962 . . . . 2.54 110.901 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -75.05 57.18 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 N-CA-C 108.513 -1.38 . . . . 1.09 108.513 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.64 -49.47 53.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.005 -1.06 . . . . 2.89 109.772 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.41 -34.68 54.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.28 -0.887 . . . . 3.15 108.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.29 -46.48 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.406 0.622 . . . . 0.8 109.593 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -52.54 64.93 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.411 -0.806 . . . . 0.84 109.573 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.497 HH11 ' HG2' ' A' ' 63' ' ' ARG . 44.2 mtt-85 -66.07 -42.54 89.26 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.66 -0.65 . . . . 3.69 110.873 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' NH1' ' CZ ' ' A' ' 30' ' ' PHE . 6.2 tmm_? -62.91 -42.34 99.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.023 -1.048 . . . . 3.46 110.304 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.429 ' HZ2' HD21 ' A' ' 27' ' ' LEU . 14.8 t-105 -50.53 -45.41 56.78 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.256 -0.902 . . . . 1.08 109.52 -178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.94 -18.6 57.71 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.34 -0.933 . . . . 1.09 111.146 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.24 -44.28 95.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.797 -1.413 . . . . 2.71 108.962 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -62.92 -21.37 65.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.149 -0.969 . . . . 3.88 108.386 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HZ3' " C3'" ' C' ' 24' ' ' ' DT' . 96.1 mttt -101.05 12.09 38.32 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.489 -0.757 . . . . 2.56 109.931 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 57.16 53.92 7.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.612 -0.884 . . . . 3.49 108.612 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.26 83.13 22.39 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.324 -0.86 . . . . 2.35 109.09 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -55.0 -20.34 22.89 Favored 'Trans proline' 0 C--N 1.321 -0.906 0 C-N-CA 121.477 1.451 . . . . 2.96 110.084 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -102.86 118.35 36.64 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.326 -0.99 . . . . 5.24 108.326 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.5 mmt -129.53 85.77 2.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 2.41 110.053 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.574 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 22.8 t-20 -67.17 143.1 56.77 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.465 -0.939 . . . . 1.48 108.465 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.521 ' OH ' HD22 ' A' ' 55' ' ' LEU . 34.7 t80 -65.58 -29.68 70.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.983 -1.073 . . . . 1.07 109.389 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.574 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 51.1 tt0 -59.58 -35.16 73.74 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.12 -1.067 . . . . 2.53 108.12 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -54.91 -40.19 69.57 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 119.488 -0.885 . . . . 4.23 109.405 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.44 -38.3 77.77 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.207 -0.933 . . . . 1.17 108.646 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 80.8 p -63.59 -37.76 88.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.846 -1.159 . . . . 1.39 108.237 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' NH1' ' H41' ' C' ' 27' ' ' ' DC' . 92.0 mtt180 -67.54 -40.32 85.01 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.115 -1.068 . . . . 4.74 108.115 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.14 -52.04 20.15 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.809 -1.716 . . . . 0.8 108.809 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 102' ' ' TYR . 2.9 mt -67.2 -32.25 73.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -1.125 . . . . 1.57 109.624 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.603 ' CG ' HH11 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -48.2 -49.62 32.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.99 . . . . 2.34 108.929 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -79.99 -23.47 41.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.567 -0.708 . . . . 1.39 111.2 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -74.53 68.1 1.57 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 1.27 110.42 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.468 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 17.5 m-85 -136.06 12.77 3.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.29 -1.004 . . . . 1.65 108.29 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.73 -32.48 65.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.384 -0.823 . . . . 2.74 109.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 91' ' ' ILE . 57.8 mtpt -106.63 141.72 37.44 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.641 -0.874 . . . . 2.52 108.641 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.805 HD22 ' H ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -76.12 89.27 3.04 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.952 -1.129 . . . . 2.8 107.952 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.994 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -132.86 -85.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 115.852 -0.613 . . . . 1.28 110.27 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.994 ' H ' HG23 ' A' ' 91' ' ' ILE . 10.4 tt -107.03 135.57 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.291 -0.881 . . . . 1.09 110.063 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -130.26 156.99 43.73 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.486 -0.931 . . . . 1.79 108.486 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 40.8 mttp -82.94 140.03 33.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.273 -0.892 . . . . 2.83 109.725 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.1 m -94.87 131.31 40.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.341 -0.849 . . . . 1.24 109.106 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.43 28.3 0.15 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.077 -1.014 . . . . 2.47 110.1 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -76.9 -80.96 0.61 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.917 -1.273 . . . . 2.32 109.917 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.431 ' H ' HG21 ' A' ' 101' ' ' VAL . 21.4 tptp -106.13 -115.44 0.25 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.291 -1.123 . . . . 3.6 108.576 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -131.32 -39.65 1.15 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.303 -0.873 . . . . 5.66 109.437 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -103.79 29.43 5.81 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.571 -0.706 . . . . 1.27 109.755 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.431 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.4 m -91.2 128.17 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -0.949 . . . . 1.14 110.232 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.456 ' CE1' HD13 ' A' ' 83' ' ' LEU . 14.8 m-85 -129.23 151.61 49.71 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.323 -0.861 . . . . 1.23 109.723 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -148.82 162.33 40.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 2.9 109.021 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 16.7 m-85 -130.05 159.83 35.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.435 -0.791 . . . . 1.16 109.115 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 117.934 -1.031 . . . . 1.98 109.823 -179.254 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 111.161 4.201 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.023 1 O4'-C1'-N19 111.052 4.066 . . . . 1.68 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.096 1 O4'-C1'-N19 111.065 4.081 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.288 0 O4'-C1'-N19 110.912 3.891 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.611 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.95 3.938 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.611 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.607 1 O4'-C1'-N19 112.179 5.474 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.539 ' OP2' H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.122 0 O4'-C1'-N19 110.921 3.902 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.465 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.556 1 O4'-C1'-N19 111.366 4.458 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.426 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.537 1 O4'-C1'-N19 112.029 5.286 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.984 3.98 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.483 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.616 0 O4'-C1'-N19 110.998 3.998 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.483 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 111.735 4.919 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.506 1 O4'-C1'-N19 111.725 4.907 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.506 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.343 4.428 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.537 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.68 0 C3'-C2'-C1' 106.819 2.942 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.537 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.664 1 O4'-C1'-N19 111.169 4.211 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 O4'-C1'-N19 110.929 3.911 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.798 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.232 0 O4'-C1'-N19 110.863 3.828 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.402 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O4'-C1'-N19 110.557 3.447 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.402 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.456 4.57 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.523 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.986 3.982 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.523 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.279 0 O4'-C1'-N19 110.96 3.951 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.792 1 O4'-C1'-N19 111.626 4.783 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.402 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.3 3.125 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.513 ' O4 ' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.602 4.753 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.497 " O5'" H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.687 4.858 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.532 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.151 0 C3'-C2'-C1' 106.963 3.045 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.532 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.241 4.302 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.468 ' N2 ' ' C4 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.222 1 O4'-C1'-N19 112.044 5.305 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.515 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.921 0 O4'-C1'-N19 110.942 3.928 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.515 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.315 1 O4'-C1'-N19 111.587 4.734 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.499 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.477 0 O4'-C1'-N19 110.33 3.163 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.523 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.669 3.586 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.523 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.056 1 O4'-C1'-N19 111.216 4.27 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 10' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.888 0.851 . . . . 3.34 109.239 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.697 ' O ' HG23 ' A' ' 11' ' ' ILE . 11.2 tp -140.14 55.62 6.62 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 120.906 -1.121 . . . . 3.52 109.316 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 11.0 Cg_endo -66.03 -14.97 46.91 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 N-CA-C 108.053 -1.556 . . . . 3.56 108.053 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -50.51 73.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.721 -0.612 . . . . 2.93 109.668 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.6 -28.57 67.87 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.225 -0.922 . . . . 3.29 108.669 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.29 -37.44 32.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.627 -0.671 . . . . 2.93 110.653 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -85.64 -14.49 45.4 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.992 -1.067 . . . . 3.23 109.775 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.54 -56.26 3.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.071 -1.018 . . . . 3.32 110.729 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.17 27.61 62.95 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 108.845 -1.702 . . . . 3.34 108.845 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.75 141.92 53.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.582 -0.952 . . . . 3.66 109.145 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 22' ' ' SER . 9.0 t -86.94 166.18 15.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.089 -1.007 . . . . 4.79 109.375 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.02 3.26 58.07 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.426 -1.07 . . . . 5.2 110.426 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.512 ' H ' HG23 ' A' ' 20' ' ' THR . 67.9 p -111.67 142.53 43.88 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.352 -1.087 . . . . 4.83 108.789 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.97 91.82 0.51 Allowed Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.065 -1.614 . . . . 3.71 109.065 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -55.18 144.61 69.51 Favored 'Trans proline' 0 C--O 1.214 -0.68 0 C-N-CA 120.935 1.09 . . . . 3.25 110.212 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 26' ' ' GLN . 33.4 mt -75.97 162.56 4.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 109.128 -0.693 . . . . 2.8 109.128 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.589 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.1 tm0? -86.36 144.76 27.18 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.052 -1.462 . . . . 1.66 107.052 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 6.7 tt -56.6 -51.49 68.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.002 -1.062 . . . . 1.54 112.154 -177.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.546 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 57.8 p-90 -77.01 -35.36 57.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.591 -1.318 . . . . 1.16 111.218 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -58.24 -40.16 80.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.229 -1.545 . . . . 2.34 106.987 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.42 -52.43 32.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.771 -0.581 . . . . 0.86 110.54 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.5 tp -64.46 -41.01 96.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.158 -0.964 . . . . 1.52 109.866 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.43 -40.42 95.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.892 -1.13 . . . . 1.91 109.365 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -58.32 -47.45 83.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.634 -1.291 . . . . 2.46 108.805 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.8 tp -68.21 -30.3 69.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 1.54 109.504 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.553 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 12.2 tp -50.7 -44.01 57.93 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.551 -0.718 . . . . 1.45 110.048 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.07 76.22 1.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.881 -1.137 . . . . 1.68 111.29 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -124.79 -63.56 1.16 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.019 -0.734 . . . . 3.08 109.019 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' NZ ' ' CD2' ' A' ' 43' ' ' PHE . 41.6 pttt -103.51 -160.54 0.78 Allowed 'General case' 0 N--CA 1.508 2.446 0 O-C-N 121.276 -0.89 . . . . 3.33 110.874 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -69.03 -38.66 79.29 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.337 -0.852 . . . . 2.66 109.466 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.7 m 54.5 27.41 8.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.528 -0.733 . . . . 2.22 109.786 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -96.89 -44.36 7.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.379 -0.825 . . . . 3.09 109.972 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.463 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p -78.48 -15.18 58.89 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.261 -0.899 . . . . 2.41 110.913 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 87.9 m-85 -111.46 -15.1 13.61 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.197 -0.939 . . . . 1.56 110.186 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG1' ' H ' ' A' ' 45' ' ' SER . 13.9 tt -168.5 -176.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 108.079 -1.082 . . . . 1.14 108.079 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.424 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 34.0 m -122.88 123.91 42.04 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.94 -1.1 . . . . 1.71 110.564 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.553 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -112.45 109.73 19.5 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 107.523 -1.288 . . . . 1.46 107.523 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -63.12 145.5 55.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.501 -1.375 . . . . 2.04 109.417 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.84 37.07 4.0 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 109.882 -1.287 . . . . 1.95 109.882 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -117.43 -102.78 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.407 -1.055 . . . . 3.56 110.153 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.86 -108.09 0.84 Allowed Glycine 0 N--CA 1.496 2.645 0 N-CA-C 108.943 -1.663 . . . . 1.32 108.943 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -138.61 85.01 2.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.43 -1.041 . . . . 1.06 108.669 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -131.22 131.13 43.73 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.807 -0.812 . . . . 2.5 108.807 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.459 ' O ' ' O ' ' A' ' 102' ' ' TYR . 37.4 t80 -129.58 129.7 44.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.82 109.275 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -126.6 136.28 52.33 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.243 -0.911 . . . . 2.34 109.305 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.4 mp -91.4 100.36 13.16 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 121.375 0.607 . . . . 1.3 110.482 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -78.66 -58.81 3.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.927 . . . . 1.6 110.093 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -139.64 77.32 28.27 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.022 -1.048 . . . . 2.54 110.82 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -74.52 42.14 0.76 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.444 1.429 . . . . 1.09 110.464 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.77 -44.1 74.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.685 -1.259 . . . . 2.89 109.212 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -71.27 -43.16 67.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.223 -0.923 . . . . 3.15 108.68 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' TRP . 38.0 t -67.55 -47.61 79.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.78 -0.575 . . . . 0.8 109.885 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.06 83.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.107 . . . . 0.84 109.06 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.03 -43.18 99.39 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.774 -1.204 . . . . 3.69 107.903 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.663 ' HE ' ' NH2' ' A' ' 68' ' ' ARG . 69.1 ttt180 -65.85 -39.37 90.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 3.46 109.125 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' VAL . 54.5 t-105 -58.82 -41.07 85.98 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.606 0.717 . . . . 1.08 109.095 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.89 -13.5 71.98 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.828 -1.309 . . . . 1.09 109.828 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.58 -40.74 96.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.155 -1.203 . . . . 2.71 109.145 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.663 ' NH2' ' HE ' ' A' ' 64' ' ' ARG . 11.2 mpt_? -60.53 -31.22 70.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.865 . . . . 3.88 109.548 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -88.79 1.11 55.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.949 -1.094 . . . . 2.56 108.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 60.91 27.98 17.79 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.835 -0.541 . . . . 3.49 111.648 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.57 160.0 30.49 Favored Pre-proline 0 N--CA 1.501 2.099 0 O-C-N 120.973 -1.079 . . . . 2.35 108.646 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.515 ' O ' ' SD ' ' A' ' 74' ' ' MET . 4.0 Cg_endo -61.98 -153.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.212 -0.821 0 N-CA-C 108.361 -1.438 . . . . 2.96 108.361 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -92.47 126.63 37.64 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.939 -1.134 . . . . 5.24 107.939 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 72' ' ' PRO . 4.4 mpp? -115.87 159.96 20.82 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 109.032 -0.729 . . . . 2.41 109.032 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 p30 -69.38 156.34 38.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.257 -0.902 . . . . 1.48 110.532 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.566 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 81.9 t80 -69.39 -17.35 63.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 1.07 110.071 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -53.67 -35.86 61.52 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.269 -0.894 . . . . 2.53 110.156 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -57.67 -35.53 70.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.149 -0.969 . . . . 4.23 109.579 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.35 -46.4 76.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.982 -1.074 . . . . 1.17 109.096 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -60.86 -39.84 90.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.816 -1.177 . . . . 1.39 108.152 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.513 ' NH2' ' O4 ' ' C' ' 25' ' ' ' DT' . 0.0 OUTLIER -75.49 -44.11 45.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.415 -0.803 . . . . 4.74 109.637 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.12 -47.37 59.67 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.789 -0.924 . . . . 0.8 110.789 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 92' ' ' ILE . 1.6 tp -62.26 -35.34 78.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.952 -1.322 . . . . 1.57 108.898 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.465 ' NE ' ' OP2' ' B' ' 8' ' ' ' DG' . 2.3 tmt_? -52.45 -43.82 65.15 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.292 -0.88 . . . . 2.34 109.554 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.42 ' HB2' HH12 ' A' ' 81' ' ' ARG . 54.3 t80 -71.58 -17.01 62.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.39 109.154 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.5 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 12.1 t80 -77.2 14.82 0.83 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.437 -0.789 . . . . 1.27 110.923 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.562 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.4 m-85 -87.25 18.36 3.78 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.988 -1.07 . . . . 1.65 108.956 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.59 -29.58 61.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.96 -1.087 . . . . 2.74 108.31 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -111.76 139.89 46.85 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.394 -0.965 . . . . 2.52 108.394 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -76.51 90.59 3.3 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.93 -1.106 . . . . 2.8 108.622 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.958 HG23 ' H ' ' A' ' 92' ' ' ILE . 0.9 OUTLIER -138.02 -89.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 115.741 -0.663 . . . . 1.28 109.606 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.958 ' H ' HG23 ' A' ' 91' ' ' ILE . 9.3 tt -98.28 133.72 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.18 -0.95 . . . . 1.09 111.238 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -128.77 152.3 48.6 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.964 -0.754 . . . . 1.79 108.964 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.562 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 3.0 pptp? -103.84 147.73 26.96 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.994 -1.067 . . . . 2.83 110.076 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 97' ' ' GLY . 89.9 m -88.64 132.08 34.71 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.952 -0.758 . . . . 1.24 108.952 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.99 16.17 3.01 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.276 -0.89 . . . . 2.47 110.863 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.693 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.18 -38.39 29.8 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 119.539 -1.315 . . . . 2.32 109.957 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -127.34 -134.32 0.24 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.361 -1.082 . . . . 3.6 108.161 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 -30.41 0.91 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.82 -1.175 . . . . 5.66 109.886 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -106.15 21.78 16.79 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.13 -0.982 . . . . 1.27 110.159 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 101' ' ' VAL . 7.3 m -91.43 120.09 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.046 -1.034 . . . . 1.14 110.218 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 7.8 m-85 -119.08 150.41 40.03 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 109.134 -0.691 . . . . 1.23 109.134 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -158.75 169.15 25.02 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 120.889 -1.132 . . . . 2.9 109.694 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 31.3 m-85 -130.87 163.75 26.73 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.793 -0.567 . . . . 1.16 109.791 -178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 117.945 -1.026 . . . . 1.98 109.396 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.473 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.226 1 O4'-C1'-N19 111.094 4.117 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.473 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 110.592 3.49 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.953 1 O4'-C1'-N19 111.102 4.127 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 1 O4'-C1'-N19 111.526 4.658 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.546 4.683 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.471 H2'' " O4'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.99 0 C3'-C2'-C1' 106.917 3.012 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.471 " O4'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.716 1 O4'-C1'-N19 111.927 5.159 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.533 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.597 1 O4'-C1'-N19 111.178 4.223 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.533 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 112.001 5.251 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.186 1 O4'-C1'-N19 111.461 4.576 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.606 3.507 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 112.315 5.644 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.267 4.334 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 1 O4'-C1'-N19 111.659 4.824 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.507 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.604 0 C3'-C2'-C1' 106.997 3.069 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.507 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 111.125 4.156 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 1 O4'-C1'-N19 111.448 4.561 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 1 O4'-C1'-N19 111.347 4.434 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.476 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.842 0 C3'-C2'-C1' 107.033 3.095 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.476 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.108 0 O4'-C1'-N19 110.707 3.634 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 1 O4'-C1'-N19 111.534 4.667 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.22 4.275 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.438 ' OP2' ' OD2' ' A' ' 88' ' ' ASP . . . . . . . . 0 C5'--C4' 1.536 3.17 1 O4'-C1'-N19 111.194 4.243 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.542 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.522 0 C3'-C2'-C1' 107.036 3.097 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.542 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.726 4.908 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.091 1 O4'-C1'-N19 111.322 4.402 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.034 4.043 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.097 4.122 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 112.707 6.134 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.431 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.303 1 O4'-C1'-N19 111.337 4.421 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.431 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.211 1 O4'-C1'-N19 111.407 4.509 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.42 3.275 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.51 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.263 0 O4'-C1'-N19 110.787 3.734 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.51 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.543 4.019 0 O4'-C1'-N19 110.841 3.801 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' CG1' ' HZ1' ' A' ' 38' ' ' LYS . 28.0 m . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.466 0.65 . . . . 3.34 109.264 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -137.29 58.6 17.98 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 121.628 -0.67 . . . . 3.52 109.567 179.322 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 9.9 Cg_endo -69.0 -10.03 28.03 Favored 'Trans proline' 0 C--O 1.211 -0.841 0 N-CA-C 107.677 -1.701 . . . . 3.56 107.677 177.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' ALA . . . -58.91 -45.4 90.41 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.534 -0.729 . . . . 2.93 109.817 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.09 70.69 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.07 -1.019 . . . . 3.29 108.434 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.53 -44.16 12.16 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 2.93 109.897 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 16' ' ' LEU . 9.5 mp -83.9 -49.98 8.49 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.849 -1.157 . . . . 3.23 110.484 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . -83.81 -96.11 0.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.063 -1.023 . . . . 3.32 109.603 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.47 28.64 15.3 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 108.249 -1.941 . . . . 3.34 108.249 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.597 ' OH ' ' N ' ' A' ' 26' ' ' GLN . 24.0 p90 -69.94 130.71 42.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.916 -0.755 . . . . 3.66 110.449 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -126.17 0.5 7.13 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.313 -0.867 . . . . 4.79 108.995 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.25 86.1 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.989 -1.244 . . . . 5.2 109.989 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -122.54 35.76 4.8 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.332 -1.099 . . . . 4.83 109.412 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.87 -178.96 49.94 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.001 -1.24 . . . . 3.71 110.001 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -57.86 -177.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 121.971 1.78 . . . . 3.25 109.986 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.7 mm -68.98 127.17 30.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 O-C-N 121.049 -1.032 . . . . 2.8 109.263 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.597 ' N ' ' OH ' ' A' ' 19' ' ' TYR . 5.9 tm0? -89.75 159.37 17.09 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.773 -0.825 . . . . 1.66 108.773 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 27' ' ' LEU . 5.0 tt -65.91 -67.24 0.46 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.2 -0.937 . . . . 1.54 111.773 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.6 p-90 -71.04 -38.86 72.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.11 -0.993 . . . . 1.16 112.085 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.471 ' NE2' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -52.02 -50.08 62.09 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.409 -1.432 . . . . 2.34 108.12 -179.036 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -64.04 -51.64 63.18 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.638 -0.664 . . . . 0.86 110.507 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.64 -40.15 90.89 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.191 -0.943 . . . . 1.52 108.611 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -67.87 -41.12 83.32 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.994 -0.743 . . . . 1.91 108.994 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -62.31 -39.68 93.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.064 -1.023 . . . . 2.46 109.342 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 44.1 tp -58.04 -34.11 69.73 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.847 0.832 . . . . 1.54 109.32 -179.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' CA ' ' HE1' ' A' ' 46' ' ' TRP . 5.9 mp -68.12 -38.97 82.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.483 -0.761 . . . . 1.45 111.615 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.4 p -95.63 -3.16 46.76 Favored 'General case' 0 N--CA 1.511 2.58 0 O-C-N 120.648 -1.283 . . . . 1.68 113.097 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.624 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 43.3 p30 -101.69 -96.33 0.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.767 -1.208 . . . . 3.08 109.246 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.624 ' H ' ' CG ' ' A' ' 37' ' ' ASP . 4.3 tmmm? -55.24 148.31 14.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.57 -1.331 . . . . 3.33 108.677 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.8 t -66.25 -43.23 87.13 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.923 -1.11 . . . . 2.66 110.691 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 71.24 -4.66 1.75 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.673 -0.642 . . . . 2.22 110.059 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -56.24 -39.24 72.25 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.903 -1.123 . . . . 3.09 109.713 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.9 t -83.28 -14.61 52.73 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.601 -0.687 . . . . 2.41 109.872 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -109.64 -10.22 14.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 1.56 109.858 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 tt -165.92 -170.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.997 -1.112 . . . . 1.14 107.997 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.478 ' N ' HG23 ' A' ' 44' ' ' ILE . 75.2 m -114.39 81.03 1.48 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.16 -0.962 . . . . 1.71 110.642 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.514 ' HE1' ' CA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.25 94.76 9.34 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.58 -1.267 . . . . 1.46 107.58 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -64.65 142.8 58.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.416 -1.427 . . . . 2.04 109.583 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.4 52.72 2.1 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 109.124 -1.59 . . . . 1.95 109.124 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 56.0 p30 -110.46 -121.64 0.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.665 -0.903 . . . . 3.56 108.916 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 49' ' ' ASP . . . -80.92 -95.67 0.41 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 108.155 -1.978 . . . . 1.32 108.155 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -145.92 78.82 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.95 -1.324 . . . . 1.06 109.62 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -129.61 130.0 45.07 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.813 -1.18 . . . . 2.5 107.813 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.538 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 44.0 t80 -119.36 128.48 54.12 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.755 -0.591 . . . . 0.82 109.678 -178.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -122.8 136.12 54.76 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.544 -0.723 . . . . 2.34 109.473 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -92.41 99.78 12.47 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.112 -0.993 . . . . 1.3 109.86 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.0 t -79.91 -59.15 2.84 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.957 -1.089 . . . . 1.6 109.534 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -148.8 79.85 8.4 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.52 -0.737 . . . . 2.54 110.4 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -74.38 49.4 2.04 Favored 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.282 1.321 . . . . 1.09 109.341 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.67 -40.35 76.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.524 -1.36 . . . . 2.89 110.164 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.12 -28.95 38.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.826 -1.171 . . . . 3.15 108.967 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.24 -38.18 80.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.816 -1.177 . . . . 0.8 108.286 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.33 85.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.727 -0.608 . . . . 0.84 110.177 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 64' ' ' ARG . 6.0 ppt_? -71.47 -35.56 70.89 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.682 -1.261 . . . . 3.69 109.736 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' C ' ' NE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -69.87 -42.84 72.96 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.234 -0.916 . . . . 3.46 108.87 179.603 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -58.41 -40.65 83.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.269 -0.895 . . . . 1.08 109.474 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.34 -22.49 60.47 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.95 -1.119 . . . . 1.09 110.328 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.47 -40.3 89.29 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.305 -1.115 . . . . 2.71 109.643 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -27.07 65.66 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.077 -1.014 . . . . 3.88 109.967 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -96.95 12.41 32.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.371 -0.831 . . . . 2.56 109.349 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 56.35 58.49 4.22 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.409 0.623 . . . . 3.49 111.026 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.678 ' HZ3' ' CE ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -134.45 159.12 73.48 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 107.427 -1.323 . . . . 2.35 107.427 178.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.28 -87.32 0.0 OUTLIER 'Trans proline' 0 C--O 1.214 -0.714 0 C-N-CA 121.364 1.376 . . . . 2.96 109.893 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.87 159.5 41.68 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.207 -0.933 . . . . 5.24 109.814 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.678 ' CE ' ' HZ3' ' A' ' 71' ' ' LYS . 61.2 mtt -130.27 132.53 45.96 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.48 -0.763 . . . . 2.41 110.195 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.656 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -69.9 160.24 32.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.639 -1.245 . . . . 1.48 107.639 178.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.457 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 62.6 t80 -65.99 -28.24 68.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.883 -1.136 . . . . 1.07 110.797 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.656 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.4 mt-10 -59.97 -30.59 69.2 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.65 -1.282 . . . . 2.53 108.96 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -56.8 -38.51 72.66 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 118.808 -1.157 . . . . 4.23 108.857 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.44 -43.18 86.32 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.138 -1.06 . . . . 1.17 108.138 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.1 p -60.78 -36.36 78.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.041 -1.037 . . . . 1.39 108.733 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 81' ' ' ARG . 23.7 mtt-85 -60.35 -43.93 96.02 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.138 -0.976 . . . . 4.74 109.303 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.51 -45.69 9.48 Favored Glycine 0 N--CA 1.481 1.64 0 N-CA-C 109.871 -1.292 . . . . 0.8 109.871 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.74 -33.61 74.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -1.122 . . . . 1.57 112.632 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.682 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -59.77 -39.27 84.3 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.109 -1.619 . . . . 2.34 109.574 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.682 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 77.2 t80 -86.59 -16.97 35.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.624 -0.673 . . . . 1.39 110.272 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CE1' HD13 ' A' ' 27' ' ' LEU . 16.2 t80 -69.03 2.2 2.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.058 -1.026 . . . . 1.27 111.078 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -76.62 61.27 1.78 Allowed 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.254 -1.387 . . . . 1.65 107.254 177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.438 ' OD2' ' OP2' ' C' ' 23' ' ' ' DC' . 97.6 m-20 -79.69 -53.95 6.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.103 -0.998 . . . . 2.74 110.669 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' NZ ' ' CB ' ' A' ' 89' ' ' LYS . 8.9 mtpm? -113.31 -98.58 0.43 Allowed 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.987 0.899 . . . . 2.52 109.192 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -162.0 84.39 0.59 Allowed 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.874 -1.158 . . . . 2.8 107.874 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -128.61 -51.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.796 -0.565 . . . . 1.28 109.702 -178.519 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.611 HD12 ' CE2' ' A' ' 104' ' ' PHE . 6.4 tt -134.28 128.26 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.749 -1.219 . . . . 1.09 109.428 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -128.79 138.96 52.37 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.277 -0.638 . . . . 1.79 109.277 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -76.82 152.56 35.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 2.83 109.961 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 97' ' ' GLY . 81.4 m -88.32 137.84 31.97 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.661 -0.866 . . . . 1.24 108.661 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.99 19.2 0.43 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.357 -0.84 . . . . 2.47 110.447 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 95' ' ' THR . . . -81.46 -87.12 0.66 Allowed Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.325 -1.51 . . . . 2.32 109.325 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.522 ' H ' HG21 ' A' ' 101' ' ' VAL . 56.5 mttp -104.42 -178.13 3.57 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.473 -1.016 . . . . 3.6 109.054 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -87.37 -12.69 45.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.987 -1.07 . . . . 5.66 110.955 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.22 5.66 30.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.117 -0.989 . . . . 1.27 110.77 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.522 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.3 m -91.06 123.77 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.625 -1.297 . . . . 1.14 111.372 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.457 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 25.7 m-85 -121.72 152.26 39.61 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.639 -0.874 . . . . 1.23 108.639 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -151.43 156.05 39.85 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.253 -1.017 . . . . 2.9 108.253 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.3 m-85 -118.01 144.49 45.51 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.465 -0.772 . . . . 1.16 109.169 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 118.113 -0.946 . . . . 1.98 109.491 -178.515 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 1 O4'-C1'-N19 112.118 5.398 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C1'-N19 110.946 3.932 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.851 3.813 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.631 4.789 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.48 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.909 0 O4'-C1'-N19 110.832 3.79 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.623 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.968 3.96 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.623 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.107 1 O4'-C1'-N19 111.739 4.923 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.432 ' OP2' ' NH1' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.21 1 O4'-C1'-N19 111.724 4.905 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.947 5.183 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C1'-N19 110.961 3.951 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.461 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.596 4.745 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.461 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.288 1 O4'-C1'-N19 111.665 4.831 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.847 1 O4'-C1'-N19 111.33 4.412 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.55 4.687 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 0 C3'-C2'-C1' 106.944 3.031 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 1 O4'-C1'-N19 111.489 4.611 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.105 1 O4'-C1'-N19 111.151 4.189 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.868 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.46 0 O4'-C1'-N19 110.971 3.964 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.487 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.357 3.196 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.393 1 O4'-C1'-N19 111.199 4.249 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.477 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.385 4.481 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.477 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.359 4.448 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 1 O4'-C1'-N19 111.384 4.48 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.534 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.561 0 O4'-C1'-N19 110.37 3.213 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.534 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.222 1 O4'-C1'-N19 112.011 5.263 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.49 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.778 4.973 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.49 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.847 0 O4'-C1'-N19 110.669 3.586 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.429 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.98 0 O4'-C1'-N19 110.841 3.802 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.742 1 O4'-C1'-N19 111.82 5.025 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.498 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O4'-C1'-N19 110.614 3.517 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.498 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.319 4.399 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.831 0 O4'-C1'-N19 110.518 3.397 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.678 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.204 1 O4'-C1'-N19 111.899 5.124 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.678 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.662 0 O4'-C1'-N19 110.863 3.829 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 10' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.303 -0.629 . . . . 3.34 109.303 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 11' ' ' ILE . 10.7 tp -139.62 64.13 28.94 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.154 -0.966 . . . . 3.52 109.469 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 10.0 Cg_endo -68.81 0.73 4.56 Favored 'Trans proline' 0 C--N 1.32 -0.922 0 C-N-CA 121.406 1.404 . . . . 3.56 108.85 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.592 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -60.19 -77.84 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.709 -0.619 . . . . 2.93 109.859 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.77 -10.13 3.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.044 -1.035 . . . . 3.29 109.755 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 12' ' ' PRO . . . -85.49 -67.21 0.82 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.036 -1.04 . . . . 2.93 110.068 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -86.35 -26.76 24.67 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.216 -0.927 . . . . 3.23 110.417 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -79.71 -51.44 9.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.628 -1.295 . . . . 3.32 109.96 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.64 42.85 45.48 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 108.334 -1.906 . . . . 3.34 108.334 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.65 145.83 46.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.625 -0.926 . . . . 3.66 109.771 -178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 22' ' ' SER . 44.4 m -93.18 143.55 26.15 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.321 -0.862 . . . . 4.79 109.332 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.87 -4.1 2.03 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.066 -1.213 . . . . 5.2 110.066 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 20' ' ' THR . 58.4 m -101.38 134.02 45.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.322 -1.105 . . . . 4.83 108.428 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.08 73.24 1.19 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 107.988 -2.045 . . . . 3.71 107.988 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -57.93 138.13 84.46 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.306 1.338 . . . . 3.25 110.558 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 tt -76.85 165.59 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.737 -0.838 . . . . 2.8 108.737 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.605 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 9.3 tm0? -83.59 155.14 23.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 1.66 108.46 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.5 tt -55.52 -56.23 22.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.142 -0.974 . . . . 1.54 112.565 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.596 ' N ' HD23 ' A' ' 27' ' ' LEU . 53.2 p-90 -76.07 -30.25 58.28 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.359 -1.463 . . . . 1.16 111.115 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.64 -39.29 80.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.463 -1.398 . . . . 2.34 107.411 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -67.88 -49.86 59.66 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.416 0.626 . . . . 0.86 109.377 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.89 -38.05 86.87 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.458 -0.776 . . . . 1.52 108.99 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -63.45 -47.92 79.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.52 -0.737 . . . . 1.91 110.197 -179.129 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -58.46 -43.25 88.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.708 -1.245 . . . . 2.46 109.933 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.76 -27.65 66.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.082 . . . . 1.54 108.759 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -59.54 -48.48 81.49 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 109.135 -0.691 . . . . 1.45 109.135 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -104.8 62.12 0.7 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.084 -1.01 . . . . 1.68 109.922 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -136.15 -120.61 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.453 -0.78 . . . . 3.08 109.243 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 39' ' ' SER . 6.2 ttpm? -55.48 163.61 1.22 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.174 -0.954 . . . . 3.33 108.92 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.484 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 16.8 t -60.45 -38.57 84.59 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.027 -1.101 . . . . 2.66 108.027 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 35.5 m 58.69 16.6 4.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.763 -0.829 . . . . 2.22 108.763 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 44' ' ' ILE . 6.0 tm0? -67.13 -41.19 86.54 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.594 -0.691 . . . . 3.09 110.67 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.1 m -73.81 -30.04 62.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.127 -0.983 . . . . 2.41 110.465 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -107.69 6.69 27.96 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.072 -1.017 . . . . 1.56 109.12 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.545 HG23 ' N ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -169.15 -175.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.534 -1.284 . . . . 1.14 107.534 -178.328 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.545 ' N ' HG23 ' A' ' 44' ' ' ILE . 43.0 t -129.95 104.91 7.64 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.195 -0.941 . . . . 1.71 109.276 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.443 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -94.24 127.71 40.26 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.704 -1.221 . . . . 1.46 107.704 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 49' ' ' ASP . 3.6 m -61.13 135.54 57.79 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.101 -0.999 . . . . 2.04 110.913 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.23 6.37 82.53 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.579 -1.408 . . . . 1.95 109.579 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' H ' HG22 ' A' ' 47' ' ' THR . 93.8 m-20 -126.44 -94.37 0.46 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.465 -1.021 . . . . 3.56 110.697 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.07 -117.5 0.7 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.48 -1.048 . . . . 1.32 110.48 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.408 ' N ' ' OE2' ' A' ' 52' ' ' GLU . 2.9 t90 -140.17 57.35 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.861 . . . . 1.06 109.102 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 47' ' ' THR . 2.1 mp0 -97.0 77.67 2.76 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 105.945 -1.872 . . . . 2.5 105.945 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -83.98 130.88 34.87 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.347 0.594 . . . . 0.82 110.198 -176.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -141.13 146.92 37.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.37 -0.974 . . . . 2.34 108.37 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 55' ' ' LEU . 9.5 mp -91.95 99.21 12.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.099 -1.001 . . . . 1.3 110.019 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.5 p -74.5 -49.37 22.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 1.6 110.86 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -139.75 76.98 28.28 Favored Pre-proline 0 N--CA 1.509 2.488 0 O-C-N 120.882 -1.136 . . . . 2.54 111.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -77.54 54.52 4.78 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.745 1.63 . . . . 1.09 109.738 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -71.58 -40.91 69.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.91 -1.119 . . . . 2.89 110.582 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -90.03 -32.96 16.52 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.834 -1.166 . . . . 3.15 109.661 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.02 -44.31 92.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.375 -0.972 . . . . 0.8 108.375 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.27 95.09 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.699 -0.852 . . . . 0.84 108.699 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -60.39 -43.61 96.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.006 -1.059 . . . . 3.69 109.098 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.42 ' NH2' ' CD ' ' A' ' 67' ' ' LYS . 3.1 mmp_? -68.88 -40.54 79.17 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.864 . . . . 3.46 110.576 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.403 ' CD1' ' NZ ' ' A' ' 69' ' ' LYS . 22.9 t-105 -66.06 -42.67 89.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.93 . . . . 1.08 109.616 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.78 -30.5 55.96 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.027 -1.229 . . . . 1.09 110.027 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' CD ' ' NH2' ' A' ' 64' ' ' ARG . 82.2 tttt -66.03 -40.14 90.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.127 -1.219 . . . . 2.71 110.361 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' A' ' 68' ' ' ARG . 0.3 OUTLIER -59.39 -10.48 3.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.857 -1.152 . . . . 3.88 109.135 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 58.9 mttp -93.12 9.07 37.49 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.117 -0.989 . . . . 2.56 110.416 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.1 m120 52.09 41.65 30.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.79 -1.194 . . . . 3.49 108.79 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 72' ' ' PRO . 4.6 mtpp -148.9 159.82 36.77 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.263 -0.898 . . . . 2.35 109.045 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 71' ' ' LYS . 5.6 Cg_exo -49.87 -175.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 121.192 1.261 . . . . 2.96 110.925 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -91.29 128.74 37.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.563 -0.71 . . . . 5.24 109.924 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 56.3 tpp -108.92 158.03 18.07 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 108.62 -0.882 . . . . 2.41 108.62 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -63.07 167.09 5.18 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 122.048 0.928 . . . . 1.48 111.95 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.474 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 63.3 t80 -63.99 -20.64 66.04 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.537 -0.542 . . . . 1.07 109.537 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.13 -27.54 46.04 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.088 -1.008 . . . . 2.53 108.59 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 79' ' ' LEU . 40.3 pttt -59.36 -41.38 89.14 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.781 -0.822 . . . . 4.23 108.781 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 78' ' ' LYS . 7.8 mt -68.58 -44.95 73.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.308 -0.87 . . . . 1.17 110.279 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 m -60.73 -44.17 96.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.857 -1.152 . . . . 1.39 110.088 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.558 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -63.65 -40.2 96.26 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.557 -0.714 . . . . 4.74 110.496 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.47 -44.65 6.1 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 119.694 -1.241 . . . . 0.8 110.645 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.687 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -60.14 -40.96 91.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -1.094 . . . . 1.57 109.676 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.729 ' HE ' ' N ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -61.09 -35.93 78.3 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.537 -1.352 . . . . 2.34 109.314 179.626 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.729 ' N ' ' HE ' ' A' ' 84' ' ' ARG . 70.5 t80 -76.5 -9.09 58.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.222 -0.924 . . . . 1.39 109.702 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.4 t80 -73.89 11.94 0.78 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 1.27 110.856 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.508 ' CE2' ' ND1' ' A' ' 93' ' ' HIS . 7.4 m-85 -76.13 11.2 1.57 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.898 -1.126 . . . . 1.65 109.634 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -74.41 -33.98 63.15 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.702 -1.222 . . . . 2.74 107.702 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -108.58 137.05 47.17 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.399 -1.334 . . . . 2.52 107.399 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -76.72 90.02 3.41 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.013 -1.106 . . . . 2.8 108.013 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.98 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.2 tp -138.3 -84.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-N 116.157 -0.474 . . . . 1.28 110.434 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.98 ' H ' HG23 ' A' ' 91' ' ' ILE . 10.5 tt -98.44 132.63 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.837 -1.165 . . . . 1.09 110.781 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.508 ' ND1' ' CE2' ' A' ' 87' ' ' TYR . 12.7 m-70 -128.77 115.21 17.61 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.023 -1.103 . . . . 1.79 108.023 178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.507 ' H ' ' CD ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -80.68 174.87 11.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.006 -1.059 . . . . 2.83 110.018 -178.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.7 m -87.69 141.34 28.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.022 -1.049 . . . . 1.24 108.213 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.8 17.28 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 2.47 110.184 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.86 -123.54 0.69 Allowed Glycine 0 N--CA 1.483 1.832 0 N-CA-C 109.309 -1.516 . . . . 2.32 109.309 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -142.36 -41.7 0.33 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.68 -0.894 . . . . 3.6 110.035 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.22 163.91 1.47 Allowed 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.773 0.796 . . . . 5.66 110.752 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.439 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 35.8 m-85 -73.94 48.35 0.29 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.627 -0.671 . . . . 1.27 109.835 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.84 122.58 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.133 -0.979 . . . . 1.14 109.558 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.474 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 66.5 m-85 -119.29 153.98 34.21 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -149.75 158.07 43.82 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.631 -0.877 . . . . 2.9 108.631 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.622 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 28.8 m-85 -130.47 159.71 36.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 1.16 109.595 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.027 -0.987 . . . . 1.98 109.146 -179.384 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.716 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.348 1 O4'-C1'-N19 111.316 4.395 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.155 0 O4'-C1'-N19 110.636 3.545 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.698 1 O4'-C1'-N19 111.134 4.167 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 0 O4'-C1'-N19 110.995 3.994 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.983 5.228 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.659 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.357 0 O4'-C1'-N19 110.285 3.106 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.659 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.507 1 O4'-C1'-N19 111.654 4.818 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.513 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 111.361 4.451 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.027 4.034 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.182 4.227 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.441 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.876 1 O4'-C1'-N19 111.197 4.247 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.441 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.896 1 O4'-C1'-N19 111.972 5.215 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 1 O4'-C1'-N19 111.336 4.42 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.502 4.627 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.468 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.619 0 C3'-C2'-C1' 106.86 2.971 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.468 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.332 0 O4'-C1'-N19 110.724 3.655 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.988 1 O4'-C1'-N19 111.116 4.144 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.877 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.739 1 O4'-C1'-N19 111.226 4.282 . . . . 2.42 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.407 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.55 3.437 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 1 O4'-C1'-N19 111.266 4.333 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 1 O4'-C1'-N19 111.713 4.891 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.11 4.137 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.095 1 O4'-C1'-N19 111.785 4.982 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.548 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.543 4.04 0 O4'-C1'-N19 110.554 3.443 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.548 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.115 1 O4'-C1'-N19 111.875 5.093 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.503 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.144 0 O4'-C1'-N19 110.652 3.565 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.503 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.391 4.489 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.475 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.391 1 O4'-C1'-N19 111.298 4.372 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.516 ' N2 ' ' C2 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.928 5.16 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.516 ' C2 ' ' N2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O4'-C1'-N19 110.823 3.779 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 1 O4'-C1'-N19 111.503 4.628 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.418 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.55 3.437 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.543 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.809 3.762 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.543 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.168 0 O4'-C1'-N19 110.738 3.672 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.524 ' O ' HG23 ' A' ' 10' ' ' VAL . 27.4 m . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.382 0.61 . . . . 3.34 109.815 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.561 ' C ' ' H ' ' A' ' 13' ' ' ALA . 3.1 pt -133.2 64.06 68.5 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.274 -0.891 . . . . 3.52 110.558 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.696 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.0 Cg_exo -53.57 -4.06 0.2 Allowed 'Trans proline' 0 C--O 1.203 -1.255 0 N-CA-C 109.136 -1.14 . . . . 3.56 109.136 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -49.28 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.711 -1.243 . . . . 2.93 109.845 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.05 -17.39 64.88 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.0 -1.062 . . . . 3.29 109.458 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.696 ' HB3' ' HA ' ' A' ' 12' ' ' PRO . . . -83.76 -37.07 23.1 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.347 -0.845 . . . . 2.93 110.559 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' A' ' 12' ' ' PRO . 34.8 tp -80.2 -42.04 24.06 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.152 -0.968 . . . . 3.23 109.721 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.46 -35.08 40.86 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.408 -0.807 . . . . 3.32 109.696 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.22 53.86 10.81 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.015 -1.634 . . . . 3.34 109.015 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.11 128.14 34.93 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.508 -0.995 . . . . 3.66 108.799 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 22' ' ' SER . 0.6 OUTLIER -95.17 -176.26 3.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.338 -0.851 . . . . 4.79 109.118 -179.421 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 20' ' ' THR . . . -68.19 63.6 0.38 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.686 -1.766 . . . . 5.2 108.686 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 20' ' ' THR . 68.2 m -106.62 29.74 6.66 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.517 -0.99 . . . . 4.83 109.66 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.5 175.95 43.15 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 110.033 -1.227 . . . . 3.71 110.033 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -59.01 139.17 89.66 Favored 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.59 1.526 . . . . 3.25 110.429 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 tt -78.93 156.17 4.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 108.875 -0.787 . . . . 2.8 108.875 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 1.3 tm0? -80.16 143.5 33.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.059 -1.026 . . . . 1.66 109.274 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.553 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 8.9 tt -59.88 -49.91 75.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.444 -0.785 . . . . 1.54 112.245 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 62.7 p-90 -82.87 -33.34 27.02 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.132 -1.605 . . . . 1.16 111.586 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -58.43 -37.84 76.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.151 -1.593 . . . . 2.34 107.824 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.627 ' CZ ' ' NH2' ' A' ' 68' ' ' ARG . 15.1 t80 -70.32 -56.02 7.75 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.616 -0.678 . . . . 0.86 109.667 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 31' ' ' LEU . 3.7 tt -58.59 -46.34 87.18 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.953 -1.092 . . . . 1.52 108.711 -178.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -59.83 -44.01 94.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.904 -1.123 . . . . 1.91 108.516 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -62.37 -41.18 98.42 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.681 -1.229 . . . . 2.46 107.681 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -62.77 -45.77 91.14 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.096 -1.446 . . . . 1.54 107.096 178.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 53' ' ' PHE . 12.0 tp -49.94 -41.71 46.93 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.236 -0.653 . . . . 1.45 109.236 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -97.35 60.46 1.63 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.311 -0.868 . . . . 1.68 110.022 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -119.08 -139.66 0.35 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.52 -0.737 . . . . 3.08 109.624 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.641 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 7.8 ttpt -56.82 -177.97 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.362 -0.836 . . . . 3.33 108.753 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.533 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 22.5 m -67.91 -34.2 76.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.042 -1.036 . . . . 2.66 108.873 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.641 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 64.2 m 56.11 17.36 2.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.562 -0.711 . . . . 2.22 109.814 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.11 -44.9 94.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.815 -1.178 . . . . 3.09 110.927 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -4.17 52.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.971 -1.081 . . . . 2.41 110.239 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 9.8 m-85 -118.28 -17.6 9.47 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.268 -0.895 . . . . 1.56 109.342 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 45' ' ' SER . 2.4 tt -163.79 -167.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 108.061 -1.089 . . . . 1.14 108.061 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.556 ' N ' HG23 ' A' ' 44' ' ' ILE . 18.0 m -128.1 122.05 31.11 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.891 -1.13 . . . . 1.71 110.444 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 108.06 15.52 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.541 -1.281 . . . . 1.46 107.541 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.1 p -70.06 159.43 33.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.847 -1.158 . . . . 2.04 109.891 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 52.99 0.67 Allowed Glycine 0 N--CA 1.497 2.703 0 N-CA-C 108.731 -1.748 . . . . 1.95 108.731 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -113.66 -149.69 0.45 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.64 -0.918 . . . . 3.56 109.121 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.69 -54.24 6.06 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.109 -1.596 . . . . 1.32 109.109 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -165.62 79.25 0.3 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.087 -1.243 . . . . 1.06 109.164 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.37 130.29 40.51 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.918 -0.771 . . . . 2.5 108.918 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.463 ' CG ' HD11 ' A' ' 35' ' ' LEU . 52.4 t80 -123.59 136.5 54.56 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.547 -0.72 . . . . 0.82 110.263 -178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -126.32 139.82 53.0 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.946 -0.761 . . . . 2.34 108.946 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.9 mp -95.54 108.48 20.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.57 -0.706 . . . . 1.3 110.437 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -82.09 -65.76 0.97 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.936 -1.102 . . . . 1.6 109.286 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 59' ' ' ASP . 69.5 m-20 -147.26 72.35 12.0 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.103 -0.998 . . . . 2.54 110.757 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.93 64.44 0.22 Allowed 'Trans proline' 0 C--N 1.315 -1.198 0 C-N-CA 121.329 1.352 . . . . 1.09 110.449 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' ASP . 63.1 t0 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.729 -1.232 . . . . 2.89 110.474 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -80.51 -29.89 37.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 3.15 110.233 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.7 -44.12 79.57 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 0.8 110.508 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.23 82.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.026 -1.046 . . . . 0.84 109.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 9.3 mpt_? -67.01 -43.31 83.2 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.501 -0.749 . . . . 3.69 109.591 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -63.93 -40.09 95.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.914 -1.116 . . . . 3.46 109.555 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -60.57 -34.17 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.19 -0.944 . . . . 1.08 109.106 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.09 -29.87 59.92 Favored Glycine 0 N--CA 1.493 2.491 0 C-N-CA 120.463 -0.875 . . . . 1.09 111.064 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -66.34 -40.47 89.87 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.854 -1.38 . . . . 2.71 111.401 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.627 ' NH2' ' CZ ' ' A' ' 30' ' ' PHE . 35.5 ttm180 -58.73 -25.63 63.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.992 -1.068 . . . . 3.88 109.773 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' NZ ' ' CB ' ' A' ' 69' ' ' LYS . 6.7 mtpm? -91.82 9.96 30.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.399 -0.813 . . . . 2.56 109.161 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.5 m120 55.45 50.46 14.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 3.49 110.392 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 72' ' ' PRO . 57.5 mttp -138.85 151.67 68.85 Favored Pre-proline 0 N--CA 1.496 1.831 0 N-CA-C 108.87 -0.789 . . . . 2.35 108.87 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 71' ' ' LYS . 4.3 Cg_exo -55.23 -166.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.067 0 N-CA-C 108.465 -1.398 . . . . 2.96 108.465 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -85.33 142.57 29.23 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.734 -1.229 . . . . 5.24 110.053 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mtp -131.85 163.96 27.12 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.819 0.819 . . . . 2.41 110.181 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -68.22 156.52 37.45 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.927 0.87 . . . . 1.48 111.293 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -61.27 -12.31 12.94 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.422 0.63 . . . . 1.07 109.603 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -58.12 -37.64 74.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.347 -0.846 . . . . 2.53 110.355 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.83 -33.51 68.7 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.91 -1.118 . . . . 4.23 109.937 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.8 mt -67.93 -46.38 71.66 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.366 -0.934 . . . . 1.17 108.484 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.0 p -67.23 -43.32 82.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.849 -1.157 . . . . 1.39 108.897 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.5 ' O ' ' CZ ' ' A' ' 84' ' ' ARG . 35.8 ttp180 -68.0 -40.34 83.03 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.582 0.706 . . . . 4.74 109.381 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.85 -44.31 5.78 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 121.014 -1.054 . . . . 0.8 111.314 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 79' ' ' LEU . 7.2 tt -64.88 -36.26 83.77 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.791 -1.417 . . . . 1.57 109.989 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.559 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -56.48 -44.41 80.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.666 -1.271 . . . . 2.34 109.158 -178.774 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.42 ' H ' ' HG3' ' A' ' 84' ' ' ARG . 66.0 t80 -61.09 -13.12 14.93 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.82 -1.175 . . . . 1.39 108.52 178.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' A' ' 88' ' ' ASP . 4.2 t80 -76.54 6.78 5.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.542 -0.724 . . . . 1.27 111.608 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 34.6 m-85 -80.27 20.91 0.64 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.132 -1.605 . . . . 1.65 108.26 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 86' ' ' TYR . 95.7 m-20 -72.49 -37.64 68.37 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.806 -1.183 . . . . 2.74 107.806 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -108.76 136.38 48.42 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.138 -1.431 . . . . 2.52 107.138 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -77.81 86.82 4.05 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.623 -1.231 . . . . 2.8 108.049 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -127.4 -44.31 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 CA-C-N 115.311 -0.859 . . . . 1.28 109.334 -178.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.65 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.3 tt -137.97 129.75 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.924 -1.11 . . . . 1.09 109.186 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -120.3 147.89 44.42 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 1.79 109.199 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -73.66 143.28 46.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.465 -0.772 . . . . 2.83 110.08 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -96.43 128.24 43.17 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.747 . . . . 1.24 109.409 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.68 47.13 1.46 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.724 -1.235 . . . . 2.47 108.669 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.81 -73.91 1.28 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.556 -1.018 . . . . 2.32 110.556 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.428 ' H ' HG21 ' A' ' 101' ' ' VAL . 59.9 tttp -111.83 -71.11 0.77 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.307 -1.114 . . . . 3.6 110.285 -178.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -170.97 -57.39 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.234 -0.916 . . . . 5.66 108.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.61 27.11 3.15 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.176 -0.675 . . . . 1.27 109.176 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.428 HG21 ' H ' ' A' ' 98' ' ' LYS . 3.5 m -87.19 124.47 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.395 -0.815 . . . . 1.14 110.837 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -115.64 151.88 34.18 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.53 -0.731 . . . . 1.23 109.581 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 103' ' ' ARG . 38.6 ttt-85 -148.89 149.88 32.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.135 -0.978 . . . . 2.9 109.219 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CE2' HD12 ' A' ' 92' ' ' ILE . 17.0 m-85 -118.61 150.92 38.88 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.616 0.722 . . . . 1.16 110.416 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 105' ' ' VAL . 10.6 p . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.84 -1.076 . . . . 1.98 109.176 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.879 3.849 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 111.232 4.29 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 1 O4'-C1'-N19 111.428 4.535 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.429 1 O4'-C1'-N19 111.396 4.494 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 111.627 4.784 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.401 ' OP1' ' CE2' ' A' ' 100' ' ' TYR . . . . . . . . 0 C5'--C4' 1.535 3.055 0 C3'-C2'-C1' 106.998 3.07 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.694 ' N4 ' ' HE ' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 112.109 5.386 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.602 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.77 1 O4'-C1'-N19 111.223 4.279 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 1 O4'-C1'-N19 111.091 4.114 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 1 O4'-C1'-N19 111.341 4.426 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.43 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.739 1 O4'-C1'-N19 111.191 4.239 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.43 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.759 4.948 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.431 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.513 1 O4'-C1'-N19 111.172 4.215 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.431 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.275 1 O4'-C1'-N19 111.779 4.974 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.408 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C1'-N19 110.531 3.414 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 111.795 4.994 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.477 1 O4'-C1'-N19 112.078 5.347 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.552 H2'' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.768 3.71 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.552 " O5'" H2'' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C1'-N19 110.459 3.323 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.415 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.682 4.852 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.457 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.867 3.833 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.457 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.285 0 O4'-C1'-N19 110.835 3.794 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.947 5.183 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.438 3.297 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 1 O4'-C1'-N19 111.076 4.095 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.382 1 O4'-C1'-N19 111.952 5.19 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.581 ' H41' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.152 4.19 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.508 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.837 1 O4'-C1'-N19 111.041 4.051 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.306 1 O4'-C1'-N19 112.187 5.483 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.484 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.7 0 O4'-C1'-N19 110.691 3.613 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.484 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.438 4.548 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.545 3.431 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.534 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.868 0 O4'-C1'-N19 110.985 3.981 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.534 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.23 0 O4'-C1'-N19 110.731 3.663 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.337 0.589 . . . . 3.34 109.532 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.3 tp -141.51 59.34 9.95 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.253 -0.904 . . . . 3.52 109.011 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 11.9 Cg_endo -69.8 -2.39 10.11 Favored 'Trans proline' 0 C--N 1.319 -0.994 0 N-CA-C 108.323 -1.453 . . . . 3.56 108.323 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.92 -64.93 0.84 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.527 -0.733 . . . . 2.93 109.349 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.84 -28.34 68.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.681 -0.637 . . . . 3.29 109.566 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.41 50.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.201 -0.937 . . . . 2.93 109.522 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.9 mt -81.39 -40.66 23.12 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.129 -0.982 . . . . 3.23 109.138 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.05 -49.03 12.35 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.915 -1.115 . . . . 3.32 109.067 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.48 -5.27 80.4 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.373 -1.091 . . . . 3.34 110.373 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.525 ' OH ' ' NH1' ' A' ' 68' ' ' ARG . 1.6 p90 -74.88 123.54 25.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.853 -1.38 . . . . 3.66 108.467 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 21' ' ' GLY . 2.8 m -101.4 -139.55 0.34 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.3 -0.875 . . . . 4.79 109.422 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 20' ' ' THR . . . -72.85 -8.93 74.37 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.829 -1.309 . . . . 5.2 109.829 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 t -103.02 129.04 49.65 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.375 -1.073 . . . . 4.83 108.343 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.08 68.01 1.42 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.065 -1.614 . . . . 3.71 109.065 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -52.85 132.46 46.93 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.265 1.31 . . . . 3.25 111.287 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 14.7 tt -77.49 168.56 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 109.082 -0.71 . . . . 2.8 109.082 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.567 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.2 tm0? -86.87 152.52 22.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.214 -0.929 . . . . 1.66 108.919 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 27' ' ' LEU . 9.4 tt -56.07 -56.28 22.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 1.54 112.163 -178.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.545 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.6 p-90 -76.54 -31.7 57.77 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.132 -1.605 . . . . 1.16 110.645 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.38 -42.8 92.51 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 118.244 -1.383 . . . . 2.34 107.28 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -62.85 -54.08 44.26 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.449 -0.782 . . . . 0.86 109.216 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.37 -41.81 97.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 1.52 109.891 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.63 -46.52 87.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.959 . . . . 1.91 109.95 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.92 -43.87 97.97 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.787 -1.195 . . . . 2.46 108.815 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -65.27 -28.13 69.13 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.108 -0.701 . . . . 1.54 109.108 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 53' ' ' PHE . 5.2 tp -56.08 -40.3 73.41 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.49 -0.756 . . . . 1.45 109.58 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -121.94 55.69 1.11 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.472 -0.768 . . . . 1.68 109.507 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -125.73 -104.44 0.35 Allowed 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.507 -0.746 . . . . 3.08 109.193 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -53.42 161.67 0.93 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.299 -0.876 . . . . 3.33 109.146 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -67.55 115.54 7.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.328 -1.36 . . . . 2.66 107.328 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.488 ' O ' ' O ' ' A' ' 44' ' ' ILE . 76.2 m -90.61 27.85 1.64 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.556 -0.715 . . . . 2.22 109.669 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -97.27 -39.03 9.44 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.223 -0.923 . . . . 3.09 111.393 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -79.21 -29.63 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.96 -1.088 . . . . 2.41 112.212 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CE2' ' CD ' ' A' ' 60' ' ' GLU . 96.8 m-85 -110.64 1.78 18.21 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.921 -1.112 . . . . 1.56 110.893 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.53 ' CG1' ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -171.8 173.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 118.461 -1.296 . . . . 1.14 109.542 -177.376 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 41.5 t -114.23 102.69 10.37 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.211 -0.93 . . . . 1.71 109.111 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.446 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.35 87.84 2.72 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.046 -1.464 . . . . 1.46 107.046 179.502 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -58.86 141.71 52.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.993 -1.067 . . . . 2.04 109.645 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.76 47.27 1.19 Allowed Glycine 0 N--CA 1.499 2.869 0 N-CA-C 109.858 -1.297 . . . . 1.95 109.858 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -112.59 -97.52 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.383 -1.069 . . . . 3.56 109.527 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.35 -102.0 0.6 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 108.809 -1.716 . . . . 1.32 108.809 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -156.62 82.21 0.96 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.229 -1.159 . . . . 1.06 109.408 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' OE2' ' CZ ' ' A' ' 103' ' ' ARG . 81.0 mm-40 -132.92 128.91 37.56 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.543 -1.28 . . . . 2.5 107.543 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.449 ' CD1' HD11 ' A' ' 35' ' ' LEU . 22.9 t80 -119.37 123.69 44.76 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.436 -0.79 . . . . 0.82 109.51 -179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -129.57 118.02 21.35 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.269 -0.894 . . . . 2.34 109.752 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 55' ' ' LEU . 5.1 mp -85.05 98.69 10.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.68 -0.637 . . . . 1.3 109.396 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 82.9 p -76.09 -39.28 55.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.09 -1.006 . . . . 1.6 110.066 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 59' ' ' ASP . 86.2 m-20 -134.74 71.44 70.37 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.317 -0.865 . . . . 2.54 109.883 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -72.18 33.05 0.28 Allowed 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.266 1.311 . . . . 1.09 110.114 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 57' ' ' ASP . 97.3 m-20 -69.89 -40.89 75.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.614 -1.304 . . . . 2.89 110.814 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CD ' ' CE2' ' A' ' 43' ' ' PHE . 81.7 mt-10 -79.35 -41.72 27.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.968 -1.082 . . . . 3.15 109.099 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.7 -40.73 88.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 N-CA-C 108.625 -0.88 . . . . 0.8 108.625 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.31 88.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.935 -1.103 . . . . 0.84 108.095 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.66 -44.11 87.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.535 -0.728 . . . . 3.69 109.289 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -59.38 -44.25 92.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 3.46 110.015 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -64.55 -37.19 86.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.554 -0.716 . . . . 1.08 110.173 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.48 -48.18 45.89 Favored Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.234 -0.984 . . . . 1.09 111.59 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -67.22 -14.76 63.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.773 -1.428 . . . . 2.71 111.219 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.525 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -59.24 -36.09 74.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.704 -1.248 . . . . 3.88 109.963 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -104.29 18.72 21.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.177 -0.952 . . . . 2.56 109.973 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 59.37 59.94 2.48 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.196 -0.94 . . . . 3.49 109.558 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.23 149.7 70.34 Favored Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 106.817 -1.549 . . . . 2.35 106.817 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -50.57 -86.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.088 0 N-CA-C 109.903 -0.845 . . . . 2.96 109.903 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.48 ' C ' ' SD ' ' A' ' 74' ' ' MET . 2.8 mptt -136.29 136.93 40.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.06 -1.025 . . . . 5.24 110.598 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.48 ' SD ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -115.76 115.81 26.95 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.881 -1.155 . . . . 2.41 107.881 178.048 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 28.0 p30 -71.86 178.83 3.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 1.48 110.893 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.01 -28.03 67.91 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.723 -0.611 . . . . 1.07 109.995 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 72.3 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 2.53 110.536 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -56.55 -36.31 69.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 4.23 109.334 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.6 mt -66.96 -41.54 86.7 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.734 -0.786 . . . . 1.17 109.576 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.0 p -64.91 -44.31 89.97 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.033 -1.067 . . . . 1.39 109.232 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.694 ' HE ' ' N4 ' ' B' ' 7' ' ' ' DC' . 97.6 mtt180 -70.17 -39.49 75.26 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.194 -0.941 . . . . 4.74 110.79 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -84.11 -51.33 4.0 Favored Glycine 0 N--CA 1.495 2.617 0 O-C-N 120.87 -1.144 . . . . 0.8 111.55 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.765 ' O ' HD23 ' A' ' 83' ' ' LEU . 6.6 tt -62.54 -28.61 69.98 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.094 -1.239 . . . . 1.57 110.205 -177.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.485 HH12 " C2'" ' B' ' 7' ' ' ' DC' . 2.2 tmm_? -60.03 -48.17 82.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.567 -1.333 . . . . 2.34 108.988 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.52 -8.66 2.93 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.331 -0.856 . . . . 1.39 109.632 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.47 ' C ' ' H ' ' A' ' 88' ' ' ASP . 3.9 t80 -74.78 4.91 5.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.132 -0.98 . . . . 1.27 111.056 -177.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -68.51 7.83 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.983 -1.073 . . . . 1.65 109.251 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 86' ' ' TYR . 62.2 t0 -72.05 -37.81 69.61 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.753 -0.832 . . . . 2.74 108.753 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -105.4 137.27 43.48 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.619 -1.252 . . . . 2.52 107.619 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -77.02 93.01 3.77 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.724 -1.235 . . . . 2.8 107.96 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.953 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -140.12 -84.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.837 -0.539 . . . . 1.28 110.463 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.953 ' H ' HG23 ' A' ' 91' ' ' ILE . 12.8 tt -99.43 135.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.069 -1.019 . . . . 1.09 110.518 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -122.06 147.51 46.01 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.475 0.655 . . . . 1.79 109.499 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' HZ1' ' P ' ' B' ' 7' ' ' ' DC' . 50.5 mtpt -81.65 152.33 27.18 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.785 0.802 . . . . 2.83 109.944 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.62 HG22 ' H ' ' A' ' 97' ' ' GLY . 94.2 m -92.08 123.02 35.13 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.613 -0.679 . . . . 1.24 109.689 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.42 -8.98 59.5 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.338 -0.851 . . . . 2.47 109.149 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.62 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.16 -34.98 39.64 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.941 -1.264 . . . . 2.32 109.941 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -129.89 178.8 6.26 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.518 -0.99 . . . . 3.6 109.114 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.08 -29.48 9.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.572 -0.705 . . . . 5.66 111.132 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.401 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 71.2 m-85 -105.54 10.41 33.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.105 -0.997 . . . . 1.27 110.761 -178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.1 130.69 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.128 -0.983 . . . . 1.14 111.956 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -105.69 156.13 18.58 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.067 -1.086 . . . . 1.23 108.067 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.43 ' CZ ' ' OE2' ' A' ' 52' ' ' GLU . 58.6 ttt180 -145.15 150.99 37.74 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.166 -1.05 . . . . 2.9 108.166 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 21.5 m-85 -122.58 164.42 18.2 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.518 -0.739 . . . . 1.16 110.029 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.163 -0.922 . . . . 1.98 109.393 -179.144 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.817 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.282 1 O4'-C1'-N19 111.278 4.347 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.505 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.249 0 O4'-C1'-N19 110.836 3.796 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.646 3.558 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.94 3.926 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.537 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.72 1 O4'-C1'-N19 111.801 5.001 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.543 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.543 3.984 0 C3'-C2'-C1' 106.867 2.977 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 112.347 5.683 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.421 1 O4'-C1'-N19 111.202 4.253 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.566 1 O4'-C1'-N19 112.784 6.23 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.592 1 O4'-C1'-N19 112.515 5.893 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.491 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.837 3.796 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.491 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.024 1 O4'-C1'-N19 111.578 4.722 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.031 1 O4'-C1'-N19 111.334 4.417 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.751 4.938 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.519 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.71 0 C3'-C2'-C1' 106.899 2.999 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.226 4.283 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.204 4.255 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 0 O4'-C1'-N19 110.991 3.988 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.425 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.01 0 C3'-C2'-C1' 106.833 2.952 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.418 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.229 0 O4'-C1'-N19 110.842 3.802 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.42 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 112.308 5.635 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.42 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.324 1 O4'-C1'-N19 111.255 4.319 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.407 ' OP1' ' NE2' ' A' ' 26' ' ' GLN . . . . . . . . 0 C5'--C4' 1.542 3.877 1 O4'-C1'-N19 111.204 4.255 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.472 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.061 0 O4'-C1'-N19 110.502 3.377 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.557 ' N3 ' ' N4 ' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.799 1 O4'-C1'-N19 112.031 5.289 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.557 ' N4 ' ' N3 ' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.638 0 O4'-C1'-N19 110.558 3.447 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.506 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.893 3.866 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.295 4.369 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 112.156 5.445 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.419 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.167 4.209 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.419 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.491 1 O4'-C1'-N19 111.71 4.887 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C1'-N19 110.829 3.787 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.496 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.832 1 O4'-C1'-N19 111.322 4.402 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.489 1 O4'-C1'-N19 111.202 4.253 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.538 ' O ' HG12 ' A' ' 10' ' ' VAL . 33.1 t . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.198 0.523 . . . . 3.34 109.729 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.721 ' O ' HG23 ' A' ' 11' ' ' ILE . 5.8 tp -137.53 61.3 30.37 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.053 -1.029 . . . . 3.52 108.952 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.32 -17.57 53.84 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.31 1.34 . . . . 3.56 108.718 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.36 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.751 -0.593 . . . . 2.93 110.468 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -5.95 2.11 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.896 . . . . 3.29 111.169 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.62 -74.56 0.44 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.798 -1.189 . . . . 2.93 110.393 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pp -93.49 -28.04 16.32 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.436 -0.79 . . . . 3.23 111.48 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.86 -17.9 42.22 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.968 -1.083 . . . . 3.32 109.486 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.98 76.62 0.15 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 108.351 -1.9 . . . . 3.34 108.351 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' OH ' ' N ' ' A' ' 25' ' ' ILE . 6.6 t80 -74.15 64.63 1.08 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.679 -0.895 . . . . 3.66 109.653 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.8 p -128.21 3.24 5.78 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.403 -0.962 . . . . 4.79 108.403 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.47 -88.33 0.01 OUTLIER Glycine 0 N--CA 1.483 1.795 0 N-CA-C 109.463 -1.455 . . . . 5.2 109.463 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 23' ' ' GLY . 32.9 t -147.8 111.88 5.16 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.373 -1.075 . . . . 4.83 110.451 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 22' ' ' SER . . . 37.24 -158.6 0.01 OUTLIER Glycine 0 N--CA 1.503 3.162 0 N-CA-C 110.248 -1.141 . . . . 3.71 110.248 178.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -60.65 138.15 77.99 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 121.063 1.176 . . . . 3.25 109.58 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 26' ' ' GLN . 10.9 tt -80.78 -149.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.196 -0.94 . . . . 2.8 108.832 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.633 ' N ' HG23 ' A' ' 25' ' ' ILE . 11.6 tm0? -88.41 158.03 18.51 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.513 -1.367 . . . . 1.66 108.576 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.1 tt -60.03 -52.52 65.04 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.079 -1.013 . . . . 1.54 112.135 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.4 p-90 -77.0 -31.06 56.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.581 -1.324 . . . . 1.16 110.698 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' OE1' ' CZ3' ' A' ' 28' ' ' TRP . 15.0 mm100 -60.08 -41.9 93.43 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.24 -1.392 . . . . 2.34 107.24 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -65.66 -55.68 16.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.369 -0.832 . . . . 0.86 109.132 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.56 -42.66 98.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.533 -0.729 . . . . 1.52 110.319 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.77 -46.67 86.94 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.704 -1.247 . . . . 1.91 110.5 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.38 -49.86 75.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.922 -1.111 . . . . 2.46 110.684 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.494 HD11 ' NZ ' ' A' ' 38' ' ' LYS . 17.6 tp -65.44 -39.77 92.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.872 -1.143 . . . . 1.54 108.46 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 35' ' ' LEU . 8.5 tt -68.73 -9.82 52.88 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.053 -0.522 . . . . 1.45 110.212 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.558 ' O ' ' NE1' ' A' ' 46' ' ' TRP . 94.1 m -68.86 -79.99 0.05 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 118.898 -1.121 . . . . 1.68 112.278 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -134.43 28.24 3.69 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.933 -1.104 . . . . 3.08 112.37 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.494 ' NZ ' HD11 ' A' ' 34' ' ' LEU . 4.5 tmmm? -70.14 151.75 45.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.453 -1.405 . . . . 3.33 108.225 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -72.22 57.84 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.895 -1.128 . . . . 2.66 108.964 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.3 p -90.26 -8.92 49.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.505 -0.747 . . . . 2.22 110.391 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -57.77 -15.08 7.02 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 118.687 -1.205 . . . . 3.09 109.285 -178.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.1 m -75.18 -41.62 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.113 -0.992 . . . . 2.41 109.601 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.67 11.25 26.63 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.702 -1.221 . . . . 1.56 107.702 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.828 HD11 HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -161.6 -167.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.868 -1.53 . . . . 1.14 106.868 -179.38 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.671 ' N ' HG23 ' A' ' 44' ' ' ILE . 40.2 t -140.61 120.75 13.79 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.837 -1.165 . . . . 1.71 110.286 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.584 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -105.12 109.34 21.29 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.005 -1.48 . . . . 1.46 107.005 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.463 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 13.2 t -52.77 148.03 8.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.721 -1.237 . . . . 2.04 109.792 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.24 25.46 23.37 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 108.41 -1.876 . . . . 1.95 108.41 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -115.3 -103.75 0.41 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.422 -1.046 . . . . 3.56 110.062 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.84 -110.81 0.77 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.958 -1.257 . . . . 1.32 109.958 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -139.38 84.68 2.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.596 -0.943 . . . . 1.06 109.677 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' H ' ' CG2' ' A' ' 47' ' ' THR . 92.1 mt-10 -132.7 130.95 40.72 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 107.593 -1.262 . . . . 2.5 107.593 178.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.443 ' CG ' HD11 ' A' ' 35' ' ' LEU . 31.4 t80 -121.4 130.78 53.8 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.247 -0.908 . . . . 0.82 109.101 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -116.6 116.52 27.74 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.234 -0.916 . . . . 2.34 111.111 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.828 HD23 HD11 ' A' ' 44' ' ' ILE . 2.7 mt -87.37 75.29 9.27 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.819 -0.808 . . . . 1.3 108.819 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -78.46 -49.66 13.05 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.605 -0.685 . . . . 1.6 111.911 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' ASP . 96.0 m-20 -134.72 69.07 72.09 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.157 -0.964 . . . . 2.54 111.082 -178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -67.22 69.88 0.61 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.589 1.526 . . . . 1.09 108.657 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 26.4 p-10 -69.57 -49.04 58.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.929 -1.107 . . . . 2.89 110.121 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 72.9 mm-40 -89.73 -32.64 16.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.918 -1.114 . . . . 3.15 109.78 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.32 -43.98 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.059 -1.025 . . . . 0.8 109.129 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.97 -46.6 74.14 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.115 -0.991 . . . . 0.84 109.259 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -65.3 -43.82 89.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.264 -0.897 . . . . 3.69 109.956 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -65.26 -43.93 89.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.212 -0.93 . . . . 3.46 110.578 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -62.07 -41.05 97.75 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.419 -0.801 . . . . 1.08 109.121 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.49 -37.56 11.97 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.644 -0.982 . . . . 1.09 110.644 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -64.44 -35.19 80.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.348 . . . . 2.71 108.808 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.3 -24.44 63.28 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.864 -1.161 . . . . 3.88 107.864 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -94.18 12.21 27.39 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.228 -0.656 . . . . 2.56 109.228 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 62.62 24.73 14.73 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 109.159 -0.682 . . . . 3.49 109.159 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -140.25 71.57 33.22 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.326 -0.858 . . . . 2.35 108.906 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -69.5 2.5 3.33 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.864 1.71 . . . . 2.96 109.168 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -91.0 -0.53 57.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 5.24 109.864 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mmt -81.62 124.56 29.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.2 -0.938 . . . . 2.41 110.218 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -72.49 177.3 4.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.575 -0.703 . . . . 1.48 110.227 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -64.05 -15.73 60.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.938 . . . . 1.07 109.556 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.76 -37.06 77.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.996 -1.065 . . . . 2.53 111.218 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -58.32 -29.26 65.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.424 -1.422 . . . . 4.23 109.425 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.96 -42.0 73.75 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.063 -1.023 . . . . 1.17 108.795 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.2 p -59.93 -45.23 93.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.108 . . . . 1.39 109.734 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.541 HH22 ' H42' ' B' ' 7' ' ' ' DC' . 28.9 ttm-85 -64.99 -39.9 94.15 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.236 -0.915 . . . . 4.74 109.999 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.55 -45.22 6.96 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.963 -1.113 . . . . 0.8 110.763 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.724 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -64.04 -40.45 96.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.092 -1.24 . . . . 1.57 110.22 -178.493 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.669 ' C ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -56.96 -41.88 79.11 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.084 -1.635 . . . . 2.34 110.781 -178.171 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -75.94 -6.99 53.5 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.759 -1.213 . . . . 1.39 110.087 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.445 ' HH ' HE22 ' A' ' 26' ' ' GLN . 6.7 t80 -76.34 6.04 6.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.179 -0.951 . . . . 1.27 112.08 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 15.7 m-85 -82.59 23.57 0.78 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.022 -1.674 . . . . 1.65 108.951 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.82 -41.06 68.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.156 -0.965 . . . . 2.74 108.964 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -107.52 142.41 37.45 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.83 -1.174 . . . . 2.52 107.83 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 23.3 p-10 -78.02 87.42 4.17 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.229 1.014 . . . . 2.8 109.628 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.613 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -137.32 -43.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.82 -1.178 . . . . 1.28 107.82 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.555 HD12 ' CE2' ' A' ' 104' ' ' PHE . 4.1 tt -140.13 133.84 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 1.09 109.204 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.502 ' NE2' ' CG1' ' A' ' 105' ' ' VAL . 4.8 p80 -137.71 155.95 48.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.463 -0.773 . . . . 1.79 109.556 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -71.25 143.96 50.21 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.695 -0.628 . . . . 2.83 110.033 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.3 m -88.34 142.61 27.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 1.24 108.733 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.12 7.65 0.93 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.446 -0.783 . . . . 2.47 110.87 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.2 -98.52 0.22 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.005 -1.638 . . . . 2.32 109.005 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.517 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.7 mmmt -105.16 -178.82 3.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.604 -0.939 . . . . 3.6 109.457 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -85.1 -8.42 58.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.942 . . . . 5.66 109.24 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -105.12 -0.14 26.89 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.357 -0.839 . . . . 1.27 111.081 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.517 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -89.56 124.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.762 -1.211 . . . . 1.14 110.094 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.773 ' CD2' HD12 ' A' ' 55' ' ' LEU . 76.6 m-85 -112.85 150.09 32.2 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.587 -0.894 . . . . 1.23 108.587 178.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -147.67 156.86 43.21 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.312 -0.867 . . . . 2.9 108.886 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CE2' HD12 ' A' ' 92' ' ' ILE . 22.3 m-85 -130.23 161.59 30.85 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.49 0.662 . . . . 1.16 109.829 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.502 ' CG1' ' NE2' ' A' ' 93' ' ' HIS . 15.6 m . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 117.832 -1.08 . . . . 1.98 110.048 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.811 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.064 4.081 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.466 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.242 4.303 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.413 H2'' " O5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.957 3.947 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.464 ' C5 ' ' C6 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.927 1 O4'-C1'-N19 111.149 4.187 . . . . 1.3 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.464 ' C6 ' ' C5 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.628 4.785 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.479 H2'' " O4'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.416 0 O4'-C1'-N19 110.799 3.749 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.597 ' H41' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.08 1 O4'-C1'-N19 111.616 4.771 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.418 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.848 1 O4'-C1'-N19 111.006 4.008 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.418 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.457 4.571 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.552 4.689 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.52 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.002 1 O4'-C1'-N19 111.4 4.499 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.52 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.424 1 O4'-C1'-N19 111.521 4.651 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.438 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.543 4.028 1 O4'-C1'-N19 111.568 4.71 . . . . 0.87 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.438 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O4'-C1'-N19 111.313 4.391 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.084 0 O4'-C1'-N19 110.512 3.39 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.427 H2'' " O5'" ' B' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.525 1 O4'-C1'-N19 111.272 4.339 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . 0.427 " O5'" H2'' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 111.172 4.215 . . . . 2.37 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.87 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.796 3.745 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.484 3.355 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.179 4.223 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.412 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.589 4.736 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.431 ' C2 ' ' O2 ' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 111.353 4.441 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.83 5.037 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.513 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.539 0 O4'-C1'-N19 110.557 3.446 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.513 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.475 4.594 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.725 3.656 . . . . 1.02 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.465 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O4'-C1'-N19 110.742 3.677 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.465 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.938 0 O4'-C1'-N19 110.618 3.523 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 1 O4'-C1'-N19 111.77 4.963 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.424 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.954 0 O4'-C1'-N19 110.599 3.498 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.457 H2'' " O5'" ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.817 1 O4'-C1'-N19 111.832 5.04 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.457 " O5'" H2'' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.396 0 O4'-C1'-N19 110.201 3.001 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.406 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 111.019 4.024 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.406 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.83 3.787 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.438 0.637 . . . . 3.34 110.061 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 11' ' ' ILE . 7.1 tp -141.17 74.41 24.96 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.222 -0.923 . . . . 3.52 108.63 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -74.01 -6.96 19.32 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 N-CA-C 108.843 -1.253 . . . . 3.56 108.843 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.12 -55.85 9.27 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.17 -0.956 . . . . 2.93 109.371 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.77 -18.05 65.06 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.047 -0.723 . . . . 3.29 109.047 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.77 -19.76 28.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.426 -0.796 . . . . 2.93 110.437 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -89.25 -79.72 0.32 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.122 -0.986 . . . . 3.23 109.76 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.54 -42.17 18.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.869 . . . . 3.32 109.934 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.96 80.32 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.531 -1.428 . . . . 3.34 109.531 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.413 ' CZ ' HG22 ' A' ' 25' ' ' ILE . 9.0 p90 -75.09 125.96 30.02 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.805 -1.409 . . . . 3.66 109.368 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 22' ' ' SER . 63.9 p -89.43 -175.69 4.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.59 -0.694 . . . . 4.79 109.888 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.02 -0.96 0.3 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 109.818 -1.313 . . . . 5.2 109.818 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 20' ' ' THR . 47.2 t -101.5 129.91 47.65 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.848 -1.168 . . . . 4.83 107.848 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.77 63.85 3.48 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.92 -1.672 . . . . 3.71 108.92 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.49 136.57 70.34 Favored 'Trans proline' 0 C--N 1.318 -1.069 0 C-N-CA 121.166 1.244 . . . . 3.25 110.189 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.2 tt -77.94 -178.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 107.755 -1.202 . . . . 2.8 107.755 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.541 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 7.1 tm0? -78.75 151.8 31.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.646 -1.283 . . . . 1.66 108.363 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.642 HD11 ' CZ2' ' A' ' 65' ' ' TRP . 11.9 tp -62.47 -66.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.912 -1.118 . . . . 1.54 111.21 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 48.0 p-90 -60.15 -35.71 75.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.813 -1.18 . . . . 1.16 110.981 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.64 -40.2 86.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.396 -1.44 . . . . 2.34 107.429 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -68.92 -47.53 65.51 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.04 -1.096 . . . . 0.86 108.04 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.38 -45.16 94.53 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.326 -0.99 . . . . 1.52 108.326 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -58.08 -52.76 64.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 1.91 109.432 -179.386 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.9 -46.96 87.66 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.914 -1.143 . . . . 2.46 107.914 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -60.58 -42.32 96.43 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.145 -1.057 . . . . 1.54 108.145 178.627 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.0 tt -45.78 -52.78 10.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.294 -0.879 . . . . 1.45 109.71 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -131.11 72.66 1.51 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.968 -1.082 . . . . 1.68 111.518 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 38' ' ' LYS . 21.2 p-10 -109.26 -51.27 2.9 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.234 -0.916 . . . . 3.08 109.484 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 42.8 pttt -104.91 -160.77 0.78 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.846 -0.798 . . . . 3.33 108.846 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -66.83 -36.22 81.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.07 -1.019 . . . . 2.66 108.909 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 57.9 m 53.44 27.11 6.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 2.22 110.646 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.58 -48.0 5.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.013 -1.054 . . . . 3.09 110.425 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -77.62 -11.84 59.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.437 -0.789 . . . . 2.41 111.361 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -109.61 -12.47 14.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.079 -1.013 . . . . 1.56 109.636 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.53 ' CG1' ' H ' ' A' ' 45' ' ' SER . 7.5 tt -166.41 -176.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.194 -0.941 . . . . 1.14 109.721 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.53 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 31.4 t -113.9 110.53 20.25 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.28 -0.888 . . . . 1.71 111.131 -179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.89 104.37 11.55 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 106.899 -1.519 . . . . 1.46 106.899 178.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -76.79 146.49 37.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.546 -1.346 . . . . 2.04 110.144 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.69 66.52 1.38 Allowed Glycine 0 N--CA 1.496 2.692 0 N-CA-C 109.707 -1.357 . . . . 1.95 109.707 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -122.92 -124.64 0.26 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.453 -1.028 . . . . 3.56 109.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.9 -81.9 0.75 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.548 -1.821 . . . . 1.32 108.548 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -159.89 76.46 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -1.157 . . . . 1.06 108.958 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -125.64 135.46 52.17 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.785 -1.191 . . . . 2.5 107.785 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD1' HD21 ' A' ' 35' ' ' LEU . 50.2 t80 -126.98 131.92 50.93 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.731 -0.606 . . . . 0.82 109.718 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -124.57 132.85 53.43 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.52 -0.737 . . . . 2.34 109.868 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.2 mp -92.38 108.65 20.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.326 -0.858 . . . . 1.3 110.943 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.8 t -83.14 -67.7 0.77 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 1.6 109.817 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' ASP . 74.4 m-20 -143.75 71.13 17.19 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.373 -0.829 . . . . 2.54 110.562 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -65.15 50.67 0.21 Allowed 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.375 1.383 . . . . 1.09 109.33 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASP . 50.0 t0 -67.32 -39.44 85.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.903 -1.123 . . . . 2.89 109.288 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -73.75 -36.47 65.13 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.361 -0.837 . . . . 3.15 108.792 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.18 -37.76 78.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.735 -0.603 . . . . 0.8 110.093 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.33 90.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.737 -1.227 . . . . 0.84 109.206 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 -60.3 -45.45 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.343 -0.848 . . . . 3.69 109.049 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 64' ' ' ARG . 25.4 mtt-85 -61.62 -40.25 94.17 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.146 -0.971 . . . . 3.46 109.74 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.642 ' CZ2' HD11 ' A' ' 27' ' ' LEU . 7.2 t-105 -64.49 -35.48 81.08 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.591 0.71 . . . . 1.08 109.692 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.35 -33.22 9.58 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.694 -0.765 . . . . 1.09 111.249 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -60.76 -41.05 94.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.671 -1.487 . . . . 2.71 110.261 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.96 -33.1 72.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.811 -1.181 . . . . 3.88 109.53 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -92.92 1.36 57.34 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.241 -0.912 . . . . 2.56 109.118 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 54.96 46.9 23.38 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 112.63 0.604 . . . . 3.49 112.63 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -95.39 159.49 32.65 Favored Pre-proline 0 N--CA 1.505 2.319 0 O-C-N 120.699 -1.251 . . . . 2.35 108.242 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -63.16 -61.15 0.14 Allowed 'Trans proline' 0 N--CA 1.48 0.71 0 C-N-CA 121.155 1.236 . . . . 2.96 109.468 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -134.01 145.29 49.33 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.348 -0.982 . . . . 5.24 108.348 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 30.4 ttm -126.59 99.76 5.94 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.267 -0.896 . . . . 2.41 109.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' ASN . 25.9 p30 -70.54 159.1 34.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.228 -0.92 . . . . 1.48 109.393 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.55 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 t80 -69.43 -21.43 63.74 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.365 -0.834 . . . . 1.07 109.208 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.556 ' OE2' ' NH2' ' A' ' 81' ' ' ARG . 57.3 tt0 -59.71 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.519 -0.738 . . . . 2.53 109.98 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.72 -39.55 68.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 4.23 110.07 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.45 -43.23 81.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.043 -1.036 . . . . 1.17 109.856 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' OP1' ' B' ' 7' ' ' ' DC' . 23.0 m -63.88 -45.09 90.97 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.24 . . . . 1.39 108.025 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.597 ' NH2' ' H41' ' B' ' 7' ' ' ' DC' . 85.6 mtt180 -68.63 -46.23 69.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.44 -0.788 . . . . 4.74 110.648 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -51.68 12.06 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.036 -1.078 . . . . 0.8 111.595 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.471 HD21 HD12 ' A' ' 92' ' ' ILE . 8.0 tt -60.42 -30.98 69.97 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.958 -1.319 . . . . 1.57 110.855 -178.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -52.7 -49.95 64.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.593 -1.317 . . . . 2.34 108.843 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.28 -12.15 8.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.455 -0.778 . . . . 1.39 110.584 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.481 ' C ' ' H ' ' A' ' 88' ' ' ASP . 2.6 t80 -72.3 2.31 6.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.101 -0.999 . . . . 1.27 110.427 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.71 6.08 0.38 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.48 -1.388 . . . . 1.65 109.182 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 86' ' ' TYR . 83.3 m-20 -69.5 -41.29 76.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.149 -1.056 . . . . 2.74 108.149 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -108.48 132.05 54.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.386 -1.339 . . . . 2.52 107.386 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.648 HD22 ' N ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -81.33 87.18 6.16 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.697 -1.252 . . . . 2.8 108.205 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -135.39 -49.07 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.695 -0.854 . . . . 1.28 108.695 -179.358 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -129.61 111.59 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.386 -0.968 . . . . 1.09 108.386 178.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.494 ' N ' HD13 ' A' ' 92' ' ' ILE . 13.1 m170 -106.16 153.82 21.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.654 -0.654 . . . . 1.79 109.255 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -84.74 131.7 34.53 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.612 -1.255 . . . . 2.83 107.612 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.7 m -87.56 132.24 34.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.18 -0.95 . . . . 1.24 110.177 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.37 51.38 1.81 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.349 -0.845 . . . . 2.47 108.892 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.96 -84.68 0.84 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.715 -1.754 . . . . 2.32 108.715 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.606 ' H ' HG21 ' A' ' 101' ' ' VAL . 82.2 tttt -120.75 -64.36 1.25 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.597 -0.943 . . . . 3.6 108.894 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -171.9 -38.84 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.065 -1.022 . . . . 5.66 110.797 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -103.42 25.34 9.73 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.041 -1.037 . . . . 1.27 108.283 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.606 HG21 ' H ' ' A' ' 98' ' ' LYS . 1.8 t -92.55 119.19 39.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.742 0.782 . . . . 1.14 109.992 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 13.8 m-85 -116.59 151.86 35.36 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.11 -0.7 . . . . 1.23 109.11 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -154.05 156.23 36.94 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.802 -0.814 . . . . 2.9 108.802 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.479 ' CE1' HD12 ' A' ' 35' ' ' LEU . 22.3 m-85 -120.71 152.75 37.85 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.707 -0.62 . . . . 1.16 109.585 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.881 -1.057 . . . . 1.98 109.309 -179.253 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.511 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.931 3.913 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.441 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.553 3.442 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.957 3.946 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.59 1 O4'-C1'-N19 111.328 4.411 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.455 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.537 1 O4'-C1'-N19 111.111 4.138 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.508 ' OP1' ' CE2' ' A' ' 100' ' ' TYR . . . . . . . . 0 C5'--C4' 1.54 3.66 1 O4'-C1'-N19 111.223 4.278 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.416 ' N4 ' ' OE1' ' A' ' 77' ' ' GLU . . . . . . . . 0 C5'--C4' 1.541 3.809 0 O4'-C1'-N19 110.967 3.959 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.466 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.651 0 O4'-C1'-N19 110.858 3.823 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.492 ' O6 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.922 3.903 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.425 " O5'" H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.374 1 O4'-C1'-N19 112.282 5.603 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.629 4.786 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.772 1 O4'-C1'-N19 111.944 5.179 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.47 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.233 1 O4'-C1'-N19 111.339 4.424 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.47 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.971 1 O4'-C1'-N19 111.988 5.235 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.454 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.104 0 O4'-C1'-N19 110.883 3.853 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 1 O4'-C1'-N19 111.601 4.751 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.461 4.576 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 111.321 4.401 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.467 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.405 0 O4'-C1'-N19 110.3 3.126 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.404 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.983 3.979 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 111.581 4.726 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.75 3.688 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.438 ' OP2' ' NZ ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.848 1 O4'-C1'-N19 111.963 5.204 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.421 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.894 1 O4'-C1'-N19 111.175 4.219 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.522 H2'' " O5'" ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.913 1 O4'-C1'-N19 112.504 5.88 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.522 " O5'" H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.787 1 O4'-C1'-N19 111.995 5.244 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.314 1 O4'-C1'-N19 111.042 4.052 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 1 O4'-C1'-N19 111.317 4.397 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.567 4.708 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.528 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.549 4.698 0 O4'-C1'-N19 110.765 3.706 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.528 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.424 4.53 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.673 3.592 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.527 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.65 3.563 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.527 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.725 0 O4'-C1'-N19 110.796 3.745 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 10' ' ' VAL . 14.6 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.772 0.796 . . . . 3.34 109.141 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.776 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -143.9 61.8 9.85 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 108.014 -1.106 . . . . 3.52 108.014 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -66.98 -4.92 12.29 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 N-CA-C 108.989 -1.196 . . . . 3.56 108.989 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.488 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . . . -61.1 -39.39 89.75 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.623 -0.673 . . . . 2.93 109.617 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.23 94.64 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.158 -0.964 . . . . 3.29 110.319 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.19 -27.51 22.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.97 -1.081 . . . . 2.93 109.68 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.5 tp -83.89 -10.52 57.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -0.915 . . . . 3.23 109.439 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 13' ' ' ALA . . . -79.88 -89.7 0.06 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 120.803 -1.186 . . . . 3.32 109.002 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.74 33.72 55.79 Favored Glycine 0 N--CA 1.484 1.895 0 N-CA-C 107.873 -2.091 . . . . 3.34 107.873 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.533 ' CD2' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -73.86 80.02 1.62 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.544 -0.974 . . . . 3.66 110.384 -178.442 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -115.2 -29.7 6.54 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.527 -0.916 . . . . 4.79 108.527 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -42.94 98.36 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 109.997 -1.241 . . . . 5.2 109.997 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.6 m -100.23 -8.99 22.9 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.228 -1.16 . . . . 4.83 109.122 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.42 -118.11 6.54 Favored Glycine 0 CA--C 1.55 2.275 0 C-N-CA 120.046 -1.073 . . . . 3.71 111.049 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -56.34 130.71 41.57 Favored 'Trans proline' 0 N--CA 1.479 0.673 0 CA-C-N 118.895 1.347 . . . . 3.25 110.243 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.533 HD13 ' CD2' ' A' ' 19' ' ' TYR . 10.0 tp -83.76 146.96 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.372 -0.83 . . . . 2.8 109.468 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 3.6 tm0? -88.9 153.72 20.82 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.976 -1.077 . . . . 1.66 108.91 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD23 ' C ' ' A' ' 27' ' ' LEU . 9.8 tt -56.54 -56.53 20.16 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.755 -1.215 . . . . 1.54 112.242 -178.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.501 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 59.1 p-90 -74.54 -31.14 62.02 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.366 -1.459 . . . . 1.16 110.884 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.504 ' NE2' ' OH ' ' A' ' 19' ' ' TYR . 36.1 tt0 -59.85 -39.87 86.66 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.401 -1.333 . . . . 2.34 107.401 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -65.32 -56.36 13.1 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.482 -0.933 . . . . 0.86 108.482 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.9 -43.94 94.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.678 -0.639 . . . . 1.52 110.01 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -44.17 97.17 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.792 -1.193 . . . . 1.91 109.274 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -64.97 -44.25 89.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.803 -1.185 . . . . 2.46 108.223 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.95 -42.66 94.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.316 -1.365 . . . . 1.54 107.316 178.765 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.534 HD11 ' CG ' ' A' ' 53' ' ' PHE . 8.6 tp -50.31 -40.01 47.37 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.575 -0.703 . . . . 1.45 109.864 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -108.07 50.29 0.78 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.278 -0.889 . . . . 1.68 110.339 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -107.46 -115.3 0.27 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.139 -0.975 . . . . 3.08 109.67 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.547 ' NZ ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pttt -64.6 -171.63 0.06 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.219 -0.926 . . . . 3.33 110.091 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 41' ' ' GLN . 32.8 t -69.14 -44.28 72.64 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.706 -0.85 . . . . 2.66 108.706 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ILE . 5.0 t 59.24 1.3 0.22 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.488 -0.757 . . . . 2.22 109.902 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' A' ' 39' ' ' SER . 24.8 mt-30 -59.84 -40.25 87.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.981 . . . . 3.09 110.192 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 43' ' ' PHE . 82.7 p -79.51 -10.89 59.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 2.41 109.684 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CD1' ' NZ ' ' A' ' 38' ' ' LYS . 87.6 m-85 -111.47 -15.21 13.59 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.54 -0.725 . . . . 1.56 109.832 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.65 HD11 ' HG ' ' A' ' 55' ' ' LEU . 6.9 tt -164.31 -178.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.347 -0.941 . . . . 1.14 109.422 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 t -113.54 111.29 21.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.168 -0.957 . . . . 1.71 110.324 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.68 109.88 19.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 106.283 -1.747 . . . . 1.46 106.283 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -55.87 142.77 33.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.59 -1.319 . . . . 2.04 109.608 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.35 17.73 55.04 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.166 -1.573 . . . . 1.95 109.166 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -109.15 -106.52 0.35 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.43 -1.041 . . . . 3.56 110.977 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -110.41 0.32 Allowed Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.099 -1.601 . . . . 1.32 109.099 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -143.2 100.21 3.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.22 -1.165 . . . . 1.06 110.497 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -147.83 131.86 17.24 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.504 -1.295 . . . . 2.5 107.504 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 41.6 t80 -123.17 127.02 48.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.511 -0.743 . . . . 0.82 110.109 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -124.92 132.4 53.3 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.434 -0.791 . . . . 2.34 108.884 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.65 ' HG ' HD11 ' A' ' 44' ' ' ILE . 7.8 mp -89.51 90.4 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.124 -0.985 . . . . 1.3 109.427 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -71.22 -48.47 51.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.479 -0.763 . . . . 1.6 109.67 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 43' ' ' PHE . 20.7 p-10 -148.53 79.98 8.55 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.212 -0.93 . . . . 2.54 111.185 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -76.8 50.48 3.06 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 120.92 1.08 . . . . 1.09 109.828 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 40.5 p-10 -68.46 -42.94 78.06 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.405 -1.434 . . . . 2.89 110.58 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 10.2 tp10 -80.5 -40.54 25.9 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.624 -1.297 . . . . 3.15 109.658 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.57 -44.43 93.84 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.438 -0.789 . . . . 0.8 110.148 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.7 54.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.041 -1.037 . . . . 0.84 109.659 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.74 -42.23 95.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.144 -0.972 . . . . 3.69 109.262 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 64' ' ' ARG . 24.9 ttt-85 -59.97 -40.01 87.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 3.46 109.093 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.434 ' CD2' HD21 ' A' ' 79' ' ' LEU . 52.3 t-105 -52.09 -36.31 50.5 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.235 -0.916 . . . . 1.08 108.975 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -86.68 -22.41 46.77 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.156 -1.021 . . . . 1.09 110.988 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -63.39 -35.63 81.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.563 -1.551 . . . . 2.71 110.247 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -55.15 -40.09 70.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.885 -1.134 . . . . 3.88 108.551 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -103.05 20.81 16.88 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.73 -0.841 . . . . 2.56 108.73 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.0 t30 57.12 57.51 4.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.503 -0.748 . . . . 3.49 110.367 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 66' ' ' GLY . 41.5 mmtm -137.06 68.49 56.68 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 121.008 -1.058 . . . . 2.35 109.75 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -67.72 -5.2 13.74 Favored 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 121.182 1.254 . . . . 2.96 109.531 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -93.66 -0.93 55.86 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.15 -0.969 . . . . 5.24 110.385 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.7 mmt -85.68 106.77 17.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.868 -1.145 . . . . 2.41 110.335 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -71.49 -178.4 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.133 0.968 . . . . 1.48 110.904 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.471 ' OH ' ' OH ' ' A' ' 102' ' ' TYR . 82.5 t80 -58.15 -29.04 65.26 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.794 -0.639 . . . . 1.07 109.483 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' OE1' ' N4 ' ' B' ' 7' ' ' ' DC' . 30.4 mm-40 -59.15 -30.09 67.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.094 -1.004 . . . . 2.53 109.033 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' NZ ' ' H73' ' C' ' 25' ' ' ' DT' . 42.8 tptt -55.2 -40.4 70.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.688 -1.227 . . . . 4.23 107.688 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD21 ' CD2' ' A' ' 65' ' ' TRP . 33.4 mt -68.09 -40.81 82.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.465 -0.772 . . . . 1.17 109.52 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -62.25 -49.54 75.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.71 -1.244 . . . . 1.39 109.606 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.618 ' CG ' HH11 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.68 -42.14 82.57 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.196 -1.001 . . . . 4.74 108.829 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.03 -52.44 23.62 Favored Glycine 0 N--CA 1.496 2.669 0 C-N-CA 120.162 -1.018 . . . . 0.8 110.887 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.846 HD11 HG21 ' A' ' 92' ' ' ILE . 24.5 tp -67.77 -33.63 75.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.924 -1.339 . . . . 1.57 110.468 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.543 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.2 tmt_? -58.27 -50.89 72.0 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.165 -0.96 . . . . 2.34 110.138 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -71.54 -16.69 62.33 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.006 -1.059 . . . . 1.39 109.095 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 26.7 t80 -73.29 7.1 2.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.635 -0.665 . . . . 1.27 112.454 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.543 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 37.9 m-85 -78.93 20.75 0.45 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.042 -1.661 . . . . 1.65 108.574 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 86' ' ' TYR . 84.4 m-20 -72.19 -34.06 68.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.355 -0.84 . . . . 2.74 109.229 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 91' ' ' ILE . 11.9 mptt -103.76 140.68 37.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.926 -1.139 . . . . 2.52 107.926 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.409 ' ND2' ' NE2' ' A' ' 93' ' ' HIS . 1.1 t-20 -76.27 92.54 3.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.866 -1.146 . . . . 2.8 108.084 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.965 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.4 tp -142.19 -87.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.827 -0.624 . . . . 1.28 109.586 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.965 ' H ' HG23 ' A' ' 91' ' ' ILE . 19.9 tt -94.93 127.9 46.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.966 -1.084 . . . . 1.09 110.343 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.409 ' NE2' ' ND2' ' A' ' 90' ' ' ASN . 55.9 m-70 -128.37 138.23 52.26 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.317 -0.994 . . . . 1.79 108.317 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -72.22 156.11 39.5 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.815 -1.178 . . . . 2.83 109.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 97' ' ' GLY . 89.3 m -89.82 137.47 32.31 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.205 -0.934 . . . . 1.24 108.673 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.44 10.53 0.46 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 2.47 110.757 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.495 ' H ' HG22 ' A' ' 95' ' ' THR . . . -79.83 -89.08 0.5 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.377 -1.489 . . . . 2.32 109.377 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.442 ' H ' HG21 ' A' ' 101' ' ' VAL . 89.7 mttt -107.94 178.4 4.53 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.329 -1.101 . . . . 3.6 108.354 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -89.34 -9.41 50.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.662 -1.274 . . . . 5.66 109.582 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.508 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 80.7 m-85 -99.95 2.58 43.72 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.128 -0.982 . . . . 1.27 110.411 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.442 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.7 m -94.21 125.58 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.711 -1.243 . . . . 1.14 110.273 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.533 ' CD1' HD13 ' A' ' 55' ' ' LEU . 7.9 m-85 -112.35 150.08 31.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.63 -0.878 . . . . 1.23 108.63 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' A' ' 103' ' ' ARG . 37.9 ttt-85 -149.02 158.19 43.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.068 -1.02 . . . . 2.9 109.979 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.721 ' CE2' HD12 ' A' ' 92' ' ' ILE . 81.2 m-85 -128.03 159.56 34.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.526 -0.733 . . . . 1.16 109.558 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 91' ' ' ILE . 19.3 m . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 118.049 -0.977 . . . . 1.98 109.367 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.414 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.485 3.357 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.414 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.622 4.778 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.828 3.785 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 1 O4'-C1'-N19 111.162 4.203 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.469 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.124 1 O4'-C1'-N19 111.472 4.591 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.533 H2'' " O4'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 C3'-C2'-C1' 106.804 2.931 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.533 " O4'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.552 5.12 1 O4'-C1'-N19 112.32 5.65 . . . . 1.38 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.763 0 O4'-C1'-N19 110.878 3.848 . . . . 1.16 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.294 4.368 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.416 H2'' " O5'" ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.064 4.08 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.461 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.62 4.775 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.461 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.965 1 O4'-C1'-N19 111.296 4.37 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.575 1 O4'-C1'-N19 111.55 4.688 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.957 1 O4'-C1'-N19 111.299 4.373 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.528 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.657 3.571 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.528 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.16 4.201 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.495 1 O4'-C1'-N19 111.509 4.636 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.866 3.832 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 C3'-C2'-C1' 106.798 2.927 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 1 O4'-C1'-N19 111.186 4.233 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.434 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.326 1 O4'-C1'-N19 111.967 5.209 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.434 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.352 0 O4'-C1'-N19 110.854 3.817 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.467 ' OP1' ' CE2' ' A' ' 86' ' ' TYR . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 111.673 4.842 . . . . 0.79 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.516 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.486 0 O4'-C1'-N19 110.494 3.368 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.516 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.551 4.688 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.592 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.357 4.446 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.592 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.936 3.921 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.508 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.961 3.952 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 1 O4'-C1'-N19 111.495 4.619 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.453 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.999 1 O4'-C1'-N19 111.455 4.568 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.453 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.975 0 O4'-C1'-N19 110.889 3.861 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.973 0 O4'-C1'-N19 110.386 3.233 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.438 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.36 0 O4'-C1'-N19 110.731 3.664 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.438 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.559 0 O4'-C1'-N19 110.053 2.816 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.278 0.561 . . . . 3.34 109.778 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.652 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 10.0 tp -141.44 36.87 0.25 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.179 -0.951 . . . . 3.52 110.609 178.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 4.1 Cg_exo -55.72 -11.68 5.44 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 N-CA-C 108.944 -1.214 . . . . 3.56 108.944 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.49 69.47 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.315 -0.865 . . . . 2.93 109.776 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.82 71.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.286 -0.884 . . . . 3.29 110.184 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.93 -30.71 21.14 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.169 -0.957 . . . . 2.93 109.814 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.1 mt -88.7 1.45 55.1 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.078 -1.013 . . . . 3.23 108.568 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLY . . . -81.71 -81.32 0.14 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.233 -1.025 . . . . 3.32 108.233 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . 44.74 33.52 3.45 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.811 -1.716 . . . . 3.34 108.811 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -68.44 80.04 0.26 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.509 -0.995 . . . . 3.66 110.066 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 t -98.54 1.05 46.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.979 -1.075 . . . . 4.79 109.09 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.13 -43.93 96.48 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.093 -1.203 . . . . 5.2 110.093 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.1 t -131.5 39.69 3.48 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.492 -1.005 . . . . 4.83 110.085 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.31 -107.87 0.12 Allowed Glycine 0 N--CA 1.496 2.669 0 N-CA-C 110.026 -1.23 . . . . 3.71 110.026 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -53.73 134.04 56.83 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 CA-C-N 118.922 1.361 . . . . 3.25 110.415 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.6 pt -83.88 164.27 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.477 -0.764 . . . . 2.8 110.386 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.57 ' NE2' ' OH ' ' A' ' 86' ' ' TYR . 1.8 tm0? -90.63 145.44 24.84 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.495 -1.298 . . . . 1.66 107.495 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 27' ' ' LEU . 1.2 tm? -56.33 -59.49 4.88 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.743 -1.223 . . . . 1.54 111.501 -177.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.555 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 60.0 p-90 -72.3 -36.91 69.04 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.741 -1.224 . . . . 1.16 113.054 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -58.71 -38.21 77.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 117.677 -1.609 . . . . 2.34 108.181 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.95 -45.96 66.31 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.376 -0.827 . . . . 0.86 110.515 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 tp -67.47 -43.7 80.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.897 -1.127 . . . . 1.52 110.218 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.37 -46.71 88.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 1.91 109.163 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.09 -40.08 94.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.702 -1.249 . . . . 2.46 108.529 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.55 -28.44 69.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.882 . . . . 1.54 109.802 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 4.8 mp -60.04 -41.37 92.13 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.527 -1.358 . . . . 1.45 108.397 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.1 p -109.42 61.16 0.6 Allowed 'General case' 0 N--CA 1.509 2.486 0 O-C-N 121.272 -0.893 . . . . 1.68 110.676 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 -104.31 0.21 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.01 -1.056 . . . . 3.08 109.933 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 174.38 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.444 -0.785 . . . . 3.33 110.32 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -74.48 114.95 13.46 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.661 0.743 . . . . 2.66 109.05 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.1 m -80.63 6.67 12.02 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 122.003 0.906 . . . . 2.22 109.157 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -98.28 61.61 1.45 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.3 -0.875 . . . . 3.09 110.447 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -159.86 -55.9 0.06 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.975 -1.078 . . . . 2.41 109.264 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -124.07 19.24 9.18 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 108.786 -0.82 . . . . 1.56 108.786 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.511 ' CG1' ' H ' ' A' ' 45' ' ' SER . 8.0 tt -163.86 179.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.217 -0.993 . . . . 1.14 110.428 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.511 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 23.2 t -138.16 129.97 28.26 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.073 -1.017 . . . . 1.71 111.349 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.406 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.49 105.86 12.95 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 106.66 -1.607 . . . . 1.46 106.66 178.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.468 HG21 ' H ' ' A' ' 52' ' ' GLU . 10.7 t -63.3 141.98 58.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.494 -1.379 . . . . 2.04 109.526 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.29 30.92 9.17 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.037 -1.225 . . . . 1.95 110.037 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -120.87 -94.36 0.5 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.37 -1.076 . . . . 3.56 110.423 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.4 -108.84 0.52 Allowed Glycine 0 N--CA 1.484 1.868 0 N-CA-C 109.594 -1.402 . . . . 1.32 109.594 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.456 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 56.3 t-105 -151.09 49.37 0.84 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 1.06 109.64 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' H ' HG21 ' A' ' 47' ' ' THR . 94.5 mt-10 -99.16 108.24 20.79 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.948 -1.095 . . . . 2.5 108.45 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -107.94 130.38 55.04 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.543 -0.91 . . . . 0.82 108.543 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -138.71 138.18 37.48 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.03 -1.044 . . . . 2.34 110.739 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.24 94.96 9.81 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.833 -0.803 . . . . 1.3 108.833 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -72.56 -43.0 64.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.973 -1.079 . . . . 1.6 110.097 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ASP . 95.5 m-20 -132.11 71.32 80.01 Favored Pre-proline 0 N--CA 1.503 2.218 0 O-C-N 121.305 -0.872 . . . . 2.54 109.346 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.38 46.24 0.35 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.343 1.362 . . . . 1.09 109.886 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' ASP . 98.3 m-20 -69.35 -43.02 74.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.635 -1.291 . . . . 2.89 108.928 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -86.47 -33.84 20.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.823 . . . . 3.15 109.792 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.66 -45.25 85.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 C-N-CA 119.498 -0.881 . . . . 0.8 109.59 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.54 92.11 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.243 -0.911 . . . . 0.84 109.924 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -68.41 -41.99 79.63 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.613 -0.679 . . . . 3.69 109.678 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.556 HH11 ' HG2' ' A' ' 64' ' ' ARG . 12.7 ttt-85 -65.74 -39.67 91.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 3.46 109.808 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.538 ' CE2' HD21 ' A' ' 79' ' ' LEU . 10.0 t-105 -55.24 -44.39 75.46 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.196 -0.94 . . . . 1.08 109.502 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.76 -15.86 64.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.566 -1.014 . . . . 1.09 110.566 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.28 -43.04 92.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.099 -1.236 . . . . 2.71 109.994 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.04 -18.22 65.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.772 -1.205 . . . . 3.88 109.062 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -92.93 6.21 48.61 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.19 -0.67 . . . . 2.56 109.19 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.2 m120 57.94 40.61 25.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.386 0.612 . . . . 3.49 109.898 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -111.23 149.17 40.15 Favored Pre-proline 0 N--CA 1.499 1.994 0 N-CA-C 107.773 -1.195 . . . . 2.35 107.773 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.2 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.869 0 N-CA-C 109.161 -1.13 . . . . 2.96 109.161 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -135.11 143.97 46.88 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.57 -0.9 . . . . 5.24 108.57 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.1 mtp -125.19 140.13 53.13 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.776 -0.824 . . . . 2.41 108.776 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -70.66 165.04 23.76 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.936 0.874 . . . . 1.48 110.866 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.32 -20.38 66.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.127 -0.694 . . . . 1.07 109.127 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.64 -36.92 77.33 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.439 -0.788 . . . . 2.53 109.908 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -54.97 -40.52 70.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.793 -1.192 . . . . 4.23 109.537 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 65' ' ' TRP . 29.7 mt -66.48 -43.34 85.69 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.229 -0.92 . . . . 1.17 109.571 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.9 m -59.16 -51.39 70.21 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.825 -1.172 . . . . 1.39 109.779 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.533 ' NH1' HH21 ' A' ' 84' ' ' ARG . 8.8 tpm_? -69.39 -41.18 76.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 4.74 109.986 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.92 23.21 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 119.594 -1.289 . . . . 0.8 110.93 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.774 HD13 ' CE1' ' A' ' 102' ' ' TYR . 5.2 tt -67.03 -44.37 80.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.873 -1.369 . . . . 1.57 110.703 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 2.1 mtp180 -58.44 -50.56 73.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.16 -1.588 . . . . 2.34 108.863 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 40.3 t80 -53.71 -14.88 1.01 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.535 -1.353 . . . . 1.39 108.663 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.57 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 3.5 t80 -76.01 6.32 5.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.291 -0.881 . . . . 1.27 110.568 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 54.4 m-85 -68.89 8.4 0.53 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.783 -1.198 . . . . 1.65 109.125 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 86' ' ' TYR . 90.2 m-20 -74.33 -35.05 63.61 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.086 -1.046 . . . . 2.74 108.569 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -109.17 130.75 55.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.96 -1.126 . . . . 2.52 107.96 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -80.08 86.49 5.53 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.816 -1.177 . . . . 2.8 107.955 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -137.31 -42.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 108.278 -1.008 . . . . 1.28 108.278 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.502 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 7.1 tt -137.45 127.57 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.732 -1.23 . . . . 1.09 110.442 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' A' ' 103' ' ' ARG . 14.4 m-70 -126.46 151.18 48.11 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 108.019 -1.104 . . . . 1.79 108.019 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -90.61 147.82 23.07 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.811 -1.181 . . . . 2.83 110.729 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 97' ' ' GLY . 52.7 m -91.66 127.48 37.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.425 -0.797 . . . . 1.24 109.029 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.21 37.27 0.16 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.082 -1.011 . . . . 2.47 109.031 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -76.95 -78.94 0.71 Allowed Glycine 0 N--CA 1.498 2.815 0 N-CA-C 109.846 -1.302 . . . . 2.32 109.846 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.588 ' H ' HG21 ' A' ' 101' ' ' VAL . 83.8 tttt -108.1 -111.77 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -1.184 . . . . 3.6 108.574 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -134.93 -30.53 1.06 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.484 -1.385 . . . . 5.66 110.156 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.443 ' HH ' " C3'" ' B' ' 5' ' ' ' DG' . 97.7 m-85 -107.27 20.71 18.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.655 -0.653 . . . . 1.27 109.863 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.588 HG21 ' H ' ' A' ' 98' ' ' LYS . 1.8 t -87.89 131.79 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.887 -1.133 . . . . 1.14 111.103 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.774 ' CE1' HD13 ' A' ' 83' ' ' LEU . 35.8 m-85 -122.1 155.94 34.64 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.69 -0.856 . . . . 1.23 108.69 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 93' ' ' HIS . 31.4 ttt-85 -153.06 153.09 32.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.296 -0.878 . . . . 2.9 108.976 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.502 ' CZ ' HD12 ' A' ' 92' ' ' ILE . 21.9 m-85 -120.73 147.68 44.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.403 -0.811 . . . . 1.16 109.98 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.096 -0.954 . . . . 1.98 109.509 -179.115 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.528 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.468 1 O4'-C1'-N19 111.422 4.528 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.61 3.513 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O4'-C1'-N19 110.735 3.669 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.796 3.745 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 1 O4'-C1'-N19 111.989 5.236 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.646 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.442 3.303 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.657 ' H42' HH21 ' A' ' 81' ' ' ARG . . . . . . . . 1 C5'--C4' 1.545 4.224 1 O4'-C1'-N19 112.051 5.313 . . . . 1.38 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.608 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.39 4.487 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.608 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.684 1 O4'-C1'-N19 111.995 5.244 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.326 1 O4'-C1'-N19 111.596 4.745 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 1 O4'-C1'-N19 111.645 4.806 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.347 1 O4'-C1'-N19 111.733 4.917 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 1 O4'-C1'-N19 111.344 4.43 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 1 O4'-C1'-N19 111.687 4.859 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.445 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.437 0 C3'-C2'-C1' 106.929 3.021 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.472 H2'' " O5'" ' B' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.195 1 O4'-C1'-N19 111.259 4.324 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . 0.472 " O5'" H2'' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.3 4.375 . . . . 2.37 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.313 1 O4'-C1'-N19 111.616 4.77 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.443 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.674 0 C3'-C2'-C1' 107.078 3.127 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.224 1 O4'-C1'-N19 111.457 4.571 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.315 1 O4'-C1'-N19 111.571 4.714 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 0 O4'-C1'-N19 110.833 3.791 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.151 1 O4'-C1'-N19 111.493 4.617 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.407 0 O4'-C1'-N19 110.765 3.706 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 112.007 5.259 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.428 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.889 3.861 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.428 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.277 1 O4'-C1'-N19 111.502 4.628 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.766 4.957 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 1 O4'-C1'-N19 112.041 5.301 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.525 0 O4'-C1'-N19 110.756 3.695 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 1 O4'-C1'-N19 111.699 4.873 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.444 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.292 3.115 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.545 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.238 4.298 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.545 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.063 0 O4'-C1'-N19 110.935 3.918 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 10' ' ' VAL . 8.1 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.415 -0.587 . . . . 3.34 109.415 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -139.55 60.14 15.71 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.455 -0.778 . . . . 3.52 110.006 178.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 1.1 Cg_endo -65.64 67.66 0.37 Allowed 'Trans proline' 0 C--N 1.312 -1.365 0 N-CA-C 107.995 -1.579 . . . . 3.56 107.995 178.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 11' ' ' ILE . . . -107.95 -102.16 0.36 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.339 -0.851 . . . . 2.93 110.185 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' HB2' HH21 ' A' ' 64' ' ' ARG . . . -59.49 -29.85 68.14 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.425 -0.797 . . . . 3.29 110.566 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.38 -24.64 36.87 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.884 -1.135 . . . . 2.93 108.836 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD13 ' C ' ' A' ' 16' ' ' LEU . 2.5 tm? -80.28 -40.34 27.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.593 0.711 . . . . 3.23 109.283 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.58 -47.61 21.94 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.467 -0.771 . . . . 3.32 110.12 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.09 34.2 11.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 108.423 -1.871 . . . . 3.34 108.423 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.46 153.94 42.78 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.741 -0.858 . . . . 3.66 109.122 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' SER . 31.5 m -90.25 130.6 36.35 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.322 -0.992 . . . . 4.79 108.322 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.95 45.34 0.31 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 110.109 -1.196 . . . . 5.2 110.109 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' THR . 72.9 m -104.48 110.98 23.47 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.163 -1.198 . . . . 4.83 109.162 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.46 164.91 5.33 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 108.568 -1.813 . . . . 3.71 108.568 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -65.02 135.31 43.38 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 121.573 1.515 . . . . 3.25 109.695 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 tt -76.66 160.31 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.122 -0.986 . . . . 2.8 109.131 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.587 ' OE1' ' NE1' ' A' ' 28' ' ' TRP . 45.7 tt0 -90.23 131.51 36.01 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.011 -1.107 . . . . 1.66 108.011 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.53 -38.85 62.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.9 -1.125 . . . . 1.54 112.426 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.587 ' NE1' ' OE1' ' A' ' 26' ' ' GLN . 6.4 p-90 -69.0 -42.97 75.74 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.787 -1.821 . . . . 1.16 110.297 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 28' ' ' TRP . 13.4 tt0 -58.7 -45.35 89.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.519 -1.363 . . . . 2.34 107.454 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -64.97 -49.84 68.71 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.385 0.612 . . . . 0.86 109.864 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.24 -44.71 78.77 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.427 -0.795 . . . . 1.52 111.154 -178.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.17 -44.22 96.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.497 -1.377 . . . . 1.91 109.649 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -59.71 -49.29 78.3 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 2.46 108.722 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.06 -30.55 70.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.551 -0.718 . . . . 1.54 109.141 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD1' ' CE1' ' A' ' 104' ' ' PHE . 8.2 tt -51.63 -40.78 60.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.136 -0.978 . . . . 1.45 109.688 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -131.35 64.45 1.58 Allowed 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.398 -0.814 . . . . 1.68 111.143 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 38' ' ' LYS . 57.3 t0 -135.46 -60.74 0.75 Allowed 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.832 -1.167 . . . . 3.08 109.773 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.771 ' NZ ' ' H ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -59.94 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.3 -0.875 . . . . 3.33 109.063 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 70.9 m -69.54 -90.04 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.287 -0.883 . . . . 2.66 109.156 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER 160.52 -65.98 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.747 -0.834 . . . . 2.22 108.747 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.72 -9.72 58.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.745 -0.597 . . . . 3.09 111.079 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 t -70.77 -42.99 69.68 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.886 -1.134 . . . . 2.41 109.788 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.771 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 88.0 m-85 -131.38 3.88 4.29 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.234 -0.916 . . . . 1.56 111.429 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.579 ' CG1' ' H ' ' A' ' 45' ' ' SER . 4.6 tt -165.03 -168.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 119.998 -1.689 . . . . 1.14 110.736 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.579 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 52.8 m -128.8 114.08 16.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.078 -1.014 . . . . 1.71 109.499 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.42 108.29 19.57 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 107.377 -1.342 . . . . 1.46 107.377 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -56.1 146.88 21.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.177 -0.952 . . . . 2.04 109.649 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.65 48.52 0.95 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.511 -1.436 . . . . 1.95 109.511 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -126.19 -108.63 0.31 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.394 -1.062 . . . . 3.56 109.077 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.8 -103.87 0.72 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 108.857 -1.697 . . . . 1.32 108.857 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -139.08 87.97 2.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -1.053 . . . . 1.06 109.158 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -137.33 129.09 28.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.839 -1.171 . . . . 2.5 107.839 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -118.67 126.22 51.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.382 -0.824 . . . . 0.82 109.397 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -116.73 128.31 55.2 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.502 -0.749 . . . . 2.34 109.749 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 55' ' ' LEU . 11.0 mp -87.62 99.68 12.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.433 -0.792 . . . . 1.3 110.235 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.4 m -80.32 -62.38 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.658 -0.652 . . . . 1.6 110.349 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 59' ' ' ASP . 57.4 p-10 -142.83 61.29 10.62 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 120.956 -1.09 . . . . 2.54 112.61 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 57' ' ' ASP . 3.9 Cg_exo -62.6 62.23 0.14 Allowed 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 121.424 1.416 . . . . 1.09 109.589 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 57' ' ' ASP . 94.4 m-20 -71.33 -43.54 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 2.89 109.86 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -77.0 -29.37 55.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 3.15 109.485 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.3 t -66.32 -48.58 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 C-N-CA 119.804 -0.758 . . . . 0.8 109.856 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.31 80.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.105 -0.997 . . . . 0.84 109.918 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -60.77 -44.02 97.31 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.12 -0.987 . . . . 3.69 108.99 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 64' ' ' ARG . 16.9 ttt-85 -67.76 -35.56 78.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.395 -0.816 . . . . 3.46 109.205 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CZ2' HD21 ' A' ' 79' ' ' LEU . 15.3 t-105 -53.52 -43.04 68.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.793 -0.818 . . . . 1.08 108.793 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' ASN . . . -91.0 -17.03 53.08 Favored Glycine 0 N--CA 1.496 2.686 0 C-N-CA 120.47 -0.871 . . . . 1.09 110.926 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -60.2 -44.15 95.36 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.708 -1.466 . . . . 2.71 107.792 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' NE ' HH12 ' A' ' 64' ' ' ARG . 3.4 mtt-85 -59.92 -35.22 74.43 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.517 -0.919 . . . . 3.88 108.517 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -96.11 9.22 41.57 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 2.56 109.445 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' GLY . 97.9 m-20 57.48 49.89 12.1 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.347 0.594 . . . . 3.49 110.026 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -137.86 69.84 50.68 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.564 -0.71 . . . . 2.35 109.498 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -57.51 -10.5 6.94 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 120.945 1.097 . . . . 2.96 110.232 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -103.74 27.21 7.71 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.203 -0.936 . . . . 5.24 109.349 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.7 tpp -68.13 121.43 16.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.274 -0.891 . . . . 2.41 109.981 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 36.2 t-20 -74.56 145.37 43.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.334 -0.853 . . . . 1.48 111.585 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 64.9 t80 -68.58 -39.05 81.15 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.637 0.732 . . . . 1.07 109.228 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.54 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 9.1 pt-20 -61.46 -32.12 72.1 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.261 -1.015 . . . . 2.53 108.261 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -50.56 -38.33 44.54 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.115 -0.99 . . . . 4.23 108.412 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.486 HD21 ' CZ2' ' A' ' 65' ' ' TRP . 2.9 mt -67.92 -36.31 79.96 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.061 -1.088 . . . . 1.17 108.061 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -58.94 -40.74 85.54 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.945 -1.102 . . . . 1.39 108.291 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.657 HH21 ' H42' ' B' ' 7' ' ' ' DC' . 97.0 mtt180 -69.34 -35.51 75.97 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.985 -1.117 . . . . 4.74 107.985 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.17 -53.08 8.04 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.809 -1.316 . . . . 0.8 109.809 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 92' ' ' ILE . 18.0 mt -60.65 -20.59 61.24 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.173 -1.193 . . . . 1.57 109.408 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.44 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 16.5 ttp180 -62.25 -52.1 65.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 2.34 109.207 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -87.29 -9.71 54.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.731 -0.606 . . . . 1.39 110.343 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' C ' ' H ' ' A' ' 88' ' ' ASP . 19.2 t80 -72.67 2.23 6.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.013 -1.054 . . . . 1.27 111.291 -177.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 40.5 m-85 -78.11 20.95 0.35 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.354 -1.466 . . . . 1.65 108.002 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' A' ' 86' ' ' TYR . 97.9 m-20 -68.14 -39.9 82.58 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.354 -0.98 . . . . 2.74 108.354 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -103.99 141.34 36.36 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.717 -1.586 . . . . 2.52 106.717 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -76.44 91.13 3.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.77 -1.206 . . . . 2.8 108.526 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.649 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.7 tp -137.42 -62.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.972 -0.455 . . . . 1.28 110.758 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.857 HD12 HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -113.54 124.77 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.136 -0.977 . . . . 1.09 112.283 -178.644 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -115.77 131.57 56.9 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.852 -0.795 . . . . 1.79 108.852 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -68.71 142.67 54.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.707 -0.62 . . . . 2.83 110.284 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 97' ' ' GLY . 91.2 m -91.73 135.65 33.74 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.309 -0.87 . . . . 1.24 110.374 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.52 30.55 0.29 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 2.47 108.922 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -77.8 -90.33 0.33 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.441 -1.464 . . . . 2.32 109.441 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -114.26 -123.62 0.29 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.313 -1.11 . . . . 3.6 109.727 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -116.17 -29.51 6.25 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.088 -1.007 . . . . 5.66 111.529 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -106.97 17.54 22.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.997 -1.065 . . . . 1.27 112.239 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.62 128.91 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 120.529 -1.357 . . . . 1.14 111.469 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -119.55 160.01 23.24 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.54 -1.281 . . . . 1.23 107.54 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -146.71 142.78 28.18 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.082 -1.011 . . . . 2.9 108.893 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.46 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 29.0 m-85 -118.0 136.27 53.63 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.685 -0.858 . . . . 1.16 108.685 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.975 -1.012 . . . . 1.98 109.95 -178.078 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.801 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.138 0 O4'-C1'-N19 110.692 3.615 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.893 1 O4'-C1'-N19 111.579 4.723 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.43 H2'' " O5'" ' B' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.928 3.91 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.43 " O5'" H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.111 0 O4'-C1'-N19 110.699 3.623 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.539 ' C2 ' ' N3 ' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.076 1 O4'-C1'-N19 112.137 5.421 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.539 ' N3 ' ' C2 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.546 4.407 0 C3'-C2'-C1' 106.849 2.964 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.672 H2'' " O5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.309 1 O4'-C1'-N19 111.828 5.035 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.672 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.788 1 O4'-C1'-N19 111.708 4.885 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.851 3.813 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O4'-C1'-N19 110.961 3.951 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.409 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.991 1 O4'-C1'-N19 111.019 4.023 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.409 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.073 1 O4'-C1'-N19 112.435 5.794 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 1 O4'-C1'-N19 112.094 5.368 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.311 1 O4'-C1'-N19 111.139 4.173 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.512 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 P--O5' 1.616 2.32 0 O4'-C1'-N19 110.199 2.999 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.416 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O4'-C1'-N19 110.881 3.851 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.824 1 O4'-C1'-N19 111.425 4.532 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.812 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.207 4.258 . . . . 2.42 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.82 0 O4'-C1'-N19 110.254 3.068 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.755 3.694 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 112.005 5.257 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.827 3.784 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.673 4.842 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.439 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.163 0 C3'-C2'-C1' 106.959 3.042 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.439 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.526 4.658 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.433 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.236 4.295 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.516 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.438 0 O4'-C1'-N19 110.774 3.718 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.516 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 111.313 4.392 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 112.253 5.567 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.539 0 O4'-C1'-N19 110.854 3.818 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.106 1 O4'-C1'-N19 111.687 4.858 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.459 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.043 0 O4'-C1'-N19 110.22 3.025 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.58 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.015 4.019 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.58 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 111.03 4.038 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 11' ' ' ILE . 90.3 t . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.424 -0.584 . . . . 3.34 109.424 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.681 ' H ' ' CD ' ' A' ' 12' ' ' PRO . 6.5 mm -114.22 -26.09 0.11 Allowed Pre-proline 0 N--CA 1.495 1.789 0 CA-C-O 117.842 -1.075 . . . . 3.52 112.364 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.681 ' CD ' ' H ' ' A' ' 11' ' ' ILE . 10.7 Cg_exo -58.35 62.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.818 0 CA-C-N 119.922 1.008 . . . . 3.56 110.851 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 11' ' ' ILE . . . -100.91 161.76 13.37 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.889 -1.132 . . . . 2.93 110.48 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -18.06 29.76 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.706 -1.22 . . . . 3.29 107.706 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' CB ' ' OD2' ' A' ' 37' ' ' ASP . . . -84.58 -4.7 59.12 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.99 -0.744 . . . . 2.93 108.99 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 tp -74.86 -73.75 0.23 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.225 -1.398 . . . . 3.23 107.225 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 19' ' ' TYR . . . -95.45 -126.64 0.13 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.927 -1.509 . . . . 3.32 106.927 177.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' THR . . . 60.55 -65.97 0.01 OUTLIER Glycine 0 N--CA 1.499 2.892 0 N-CA-C 110.545 -1.022 . . . . 3.34 110.545 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.592 ' N ' ' O ' ' A' ' 17' ' ' ALA . 65.7 t80 -70.14 54.36 0.14 Allowed 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.258 -1.143 . . . . 3.66 109.904 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' GLY . 68.3 m -110.07 -15.48 14.02 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.778 0.799 . . . . 4.79 108.845 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.99 0.3 23.16 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 111.24 -0.744 . . . . 5.2 111.24 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.9 m -110.87 19.63 18.36 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.387 -1.066 . . . . 4.83 109.38 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.86 -177.4 43.25 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.125 -1.59 . . . . 3.71 109.125 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -52.05 137.64 53.47 Favored 'Trans proline' 0 C--N 1.316 -1.182 0 N-CA-C 108.028 -1.566 . . . . 3.25 108.028 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 pt -74.46 155.99 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 120.939 -1.1 . . . . 2.8 110.311 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.555 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 9.2 tm0? -85.31 156.56 20.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.76 . . . . 1.66 109.639 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.8 tm? -61.38 -54.32 45.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.391 -0.818 . . . . 1.54 111.765 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.555 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.9 p-90 -78.88 -37.9 38.98 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.526 -1.359 . . . . 1.16 112.357 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -55.78 -37.73 68.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.526 -1.657 . . . . 2.34 106.526 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -67.26 -55.62 13.23 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.605 0.717 . . . . 0.86 109.153 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.62 -44.57 90.11 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.505 -0.747 . . . . 1.52 110.233 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.12 -48.91 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.823 -1.173 . . . . 1.91 110.24 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 87.4 tt0 -61.44 -43.77 98.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.854 -1.153 . . . . 2.46 108.553 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.27 -30.06 70.89 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.666 0.746 . . . . 1.54 109.053 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.604 HD11 ' CG ' ' A' ' 53' ' ' PHE . 9.4 tp -54.53 -46.81 73.64 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.529 -0.732 . . . . 1.45 109.59 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 p -99.93 48.68 0.93 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.193 -0.942 . . . . 1.68 110.295 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.467 ' OD2' ' O ' ' A' ' 33' ' ' GLU . 77.5 m-20 -132.21 -114.69 0.23 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.399 -0.813 . . . . 3.08 110.161 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.531 ' CE ' ' H ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -57.8 143.89 40.56 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.78 -1.193 . . . . 3.33 107.78 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.531 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 66.2 m -67.63 -43.48 80.24 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.389 -1.444 . . . . 2.66 111.318 -177.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 10' ' ' VAL . 84.7 m 51.49 16.21 0.41 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.177 -0.952 . . . . 2.22 109.164 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 44' ' ' ILE . 39.0 tt0 -59.93 -37.03 78.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.581 -0.699 . . . . 3.09 111.91 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -73.97 -10.49 59.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.329 -1.482 . . . . 2.41 110.074 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -122.87 7.7 9.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 107.993 -1.114 . . . . 1.56 107.993 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.707 HD11 HD23 ' A' ' 55' ' ' LEU . 1.6 tt -165.93 176.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.384 -0.969 . . . . 1.14 108.384 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t -115.04 116.29 28.21 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.921 -1.112 . . . . 1.71 110.49 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.51 ' NE1' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -114.37 101.53 9.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.137 -1.431 . . . . 1.46 107.137 179.007 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 p -67.69 152.26 45.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.637 -1.289 . . . . 2.04 108.802 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 37.8 3.61 Favored Glycine 0 N--CA 1.5 2.96 0 N-CA-C 109.035 -1.626 . . . . 1.95 109.035 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -116.39 -105.46 0.4 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.537 -0.978 . . . . 3.56 109.482 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.56 -106.24 0.61 Allowed Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.261 -1.535 . . . . 1.32 109.261 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.558 ' HE1' ' CD2' ' A' ' 35' ' ' LEU . 4.2 t-105 -140.11 69.48 1.36 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.255 -1.144 . . . . 1.06 109.148 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -113.09 121.96 46.12 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.32 -0.863 . . . . 2.5 109.039 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.604 ' CG ' HD11 ' A' ' 35' ' ' LEU . 58.7 t80 -130.6 135.07 47.52 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.333 -0.854 . . . . 0.82 109.312 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -129.59 130.41 45.64 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.2 -0.937 . . . . 2.34 110.378 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 44' ' ' ILE . 4.5 mt -87.56 73.39 9.46 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.145 -1.057 . . . . 1.3 108.145 178.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.6 p -76.37 -46.45 27.35 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.528 -0.733 . . . . 1.6 112.269 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -135.27 68.77 68.98 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.805 -1.185 . . . . 2.54 111.684 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -75.11 67.42 6.02 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 121.694 1.596 . . . . 1.09 109.279 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -70.05 -49.8 47.57 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.598 -1.314 . . . . 2.89 109.463 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -85.57 -33.95 21.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 3.15 109.288 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.15 -48.35 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.221 -0.925 . . . . 0.8 110.241 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.25 91.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 0.84 109.88 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -62.0 -42.52 99.24 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.788 -1.195 . . . . 3.69 109.678 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -69.78 -40.03 76.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.917 -1.115 . . . . 3.46 110.12 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.504 ' CE2' HD21 ' A' ' 79' ' ' LEU . 11.9 t-105 -53.84 -39.35 65.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.287 -0.883 . . . . 1.08 109.35 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.36 -29.47 30.3 Favored Glycine 0 N--CA 1.488 2.122 0 O-C-N 120.919 -1.113 . . . . 1.09 110.69 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -66.77 -34.27 77.45 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.025 -1.28 . . . . 2.71 111.169 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 7.4 mpt_? -61.26 -20.61 63.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.431 -1.418 . . . . 3.88 110.142 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.85 8.11 40.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.96 -1.088 . . . . 2.56 108.368 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 60.73 23.51 13.4 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-O 121.152 0.501 . . . . 3.49 110.529 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.9 mptp? -98.16 160.5 28.14 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.092 -1.077 . . . . 2.35 108.092 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -59.17 -148.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.13 1.22 . . . . 2.96 109.674 178.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -92.0 131.97 36.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.596 -1.315 . . . . 5.24 108.554 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.0 mmt -125.33 144.29 50.56 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.624 0.726 . . . . 2.41 110.276 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -66.92 171.35 5.49 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.415 1.103 . . . . 1.48 111.669 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.53 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 52.1 t80 -70.03 -12.38 61.57 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.619 -0.882 . . . . 1.07 108.619 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -60.05 -32.24 70.73 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.347 -0.846 . . . . 2.53 110.783 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.459 ' NZ ' ' CD1' ' A' ' 65' ' ' TRP . 21.8 pttp -59.38 -33.35 71.09 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.015 -1.053 . . . . 4.23 108.871 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 65' ' ' TRP . 17.5 mt -67.58 -40.7 84.85 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.53 -0.915 . . . . 1.17 108.53 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p -65.5 -41.16 93.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.088 -1.008 . . . . 1.39 109.059 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.514 HH11 ' H41' ' C' ' 27' ' ' ' DC' . 86.9 mtm180 -72.27 -36.06 68.92 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.183 -0.948 . . . . 4.74 110.68 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.14 -46.86 2.74 Favored Glycine 0 N--CA 1.503 3.105 0 C-N-CA 120.015 -1.088 . . . . 0.8 111.771 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.549 HD11 HD12 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -60.61 -43.11 97.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.709 -1.466 . . . . 1.57 108.331 -179.422 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -55.14 -47.29 75.27 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.652 -1.28 . . . . 2.34 110.1 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 89.8 t80 -64.36 -8.91 14.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.969 -1.082 . . . . 1.39 109.41 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.537 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 2.5 t80 -76.99 10.52 2.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 1.27 110.72 -177.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -76.25 13.38 0.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.704 -1.247 . . . . 1.65 109.237 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.92 -37.55 72.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 2.74 108.879 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.436 ' O ' HG22 ' A' ' 91' ' ' ILE . 9.3 mtpm? -111.86 140.14 46.76 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.718 -1.215 . . . . 2.52 107.718 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 7.8 p30 -76.76 96.16 4.18 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.243 -1.383 . . . . 2.8 108.288 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.936 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.0 OUTLIER -137.89 -87.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.856 -0.527 . . . . 1.28 109.649 -178.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.936 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -96.12 142.9 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.631 -1.293 . . . . 1.09 109.441 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' N ' HD13 ' A' ' 92' ' ' ILE . 6.5 m-70 -131.65 150.17 52.24 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.294 -0.879 . . . . 1.79 109.266 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' NZ ' ' OP2' ' B' ' 7' ' ' ' DC' . 54.4 mtmt -102.12 133.45 46.94 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.789 0.804 . . . . 2.83 108.92 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.528 ' OG1' ' NE ' ' A' ' 103' ' ' ARG . 99.8 m -89.13 141.22 28.69 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 121.336 -0.852 . . . . 1.24 110.09 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.07 56.71 3.84 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.395 -1.441 . . . . 2.47 107.787 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.435 ' H ' HG21 ' A' ' 101' ' ' VAL . . . -81.61 -100.9 0.39 Allowed Glycine 0 N--CA 1.492 2.42 0 C-N-CA 120.165 -1.017 . . . . 2.32 111.031 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -106.96 -43.62 4.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.518 -0.989 . . . . 3.6 110.211 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -171.79 -64.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.09 -1.044 . . . . 5.66 111.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.415 ' CE1' ' OP1' ' B' ' 6' ' ' ' DC' . 98.1 m-85 -104.38 40.16 1.53 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.635 -0.666 . . . . 1.27 111.03 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.435 HG21 ' H ' ' A' ' 97' ' ' GLY . 5.5 m -88.06 125.02 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.561 -1.337 . . . . 1.14 109.434 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.53 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 48.6 m-85 -118.75 150.03 40.48 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.145 -0.972 . . . . 1.23 109.225 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.528 ' NE ' ' OG1' ' A' ' 95' ' ' THR . 38.6 mtm180 -149.42 153.66 37.68 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.1 -0.704 . . . . 2.9 109.1 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 104' ' ' PHE . 23.5 m-85 -126.08 163.38 23.21 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.168 -0.679 . . . . 1.16 109.168 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.313 -0.851 . . . . 1.98 109.588 -179.816 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.887 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.843 0 O4'-C1'-N19 110.846 3.808 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.442 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.084 1 O4'-C1'-N19 111.399 4.498 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.448 0 O4'-C1'-N19 110.951 3.939 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.428 1 O4'-C1'-N19 111.499 4.624 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.594 3.492 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.544 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.986 3.982 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.544 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.143 1 O4'-C1'-N19 111.96 5.2 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.432 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.202 1 O4'-C1'-N19 111.651 4.814 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.529 H2'' " O5'" ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.419 1 O4'-C1'-N19 112.401 5.751 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.529 " O5'" H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.082 1 O4'-C1'-N19 111.729 4.911 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 1 O4'-C1'-N19 111.347 4.434 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.635 1 O4'-C1'-N19 112.171 5.464 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.544 1 O4'-C1'-N19 111.207 4.259 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 111.197 4.246 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.431 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.117 4.146 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.841 3.801 . . . . 1.74 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.941 3.926 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.999 3.999 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.431 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.403 0 O4'-C1'-N19 110.232 3.039 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.53 3.412 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 112.325 5.656 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.238 4.298 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.857 5.071 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C1'-N19 110.92 3.9 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 112.196 5.495 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.513 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.044 4.054 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.513 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.729 3.662 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.405 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.251 4.314 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.577 1 O4'-C1'-N19 111.43 4.537 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.426 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.34 0 O4'-C1'-N19 110.741 3.676 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.426 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.147 1 O4'-C1'-N19 111.285 4.356 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.428 0 O4'-C1'-N19 110.439 3.299 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.535 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.093 1 O4'-C1'-N19 111.223 4.279 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.535 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.088 4.11 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.907 -0.775 . . . . 3.34 108.907 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.691 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 1.6 pp -130.2 27.27 0.13 Allowed Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.322 -0.862 . . . . 3.52 111.578 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 17.9 Cg_endo -67.81 -1.8 7.47 Favored 'Trans proline' 0 C--O 1.209 -0.956 0 N-CA-C 108.881 -1.238 . . . . 3.56 108.881 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.02 -58.84 1.93 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.624 -0.672 . . . . 2.93 110.367 -178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.07 76.4 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.455 -0.778 . . . . 3.29 110.957 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.59 -25.1 31.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.134 -0.979 . . . . 2.93 111.806 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 12' ' ' PRO . 69.0 mt -82.58 -11.18 58.61 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.279 -1.513 . . . . 3.23 108.202 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' TYR . . . -82.66 -141.58 0.05 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.848 -1.908 . . . . 3.32 105.848 176.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . 44.9 23.11 0.54 Allowed Glycine 0 N--CA 1.494 2.509 0 C-N-CA 119.291 -1.433 . . . . 3.34 109.605 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.499 ' CE2' HG22 ' A' ' 25' ' ' ILE . 1.6 t80 -64.4 154.9 34.15 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.573 -0.957 . . . . 3.66 109.069 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 p -83.56 169.5 15.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 4.79 109.86 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.59 56.01 0.93 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.599 -1.0 . . . . 5.2 110.599 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m -105.67 22.22 15.89 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.305 -1.115 . . . . 4.83 108.456 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.57 165.45 40.95 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.382 -1.487 . . . . 3.71 109.382 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.02 148.4 39.18 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.475 1.45 . . . . 3.25 109.392 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.509 HD12 ' HB2' ' A' ' 30' ' ' PHE . 17.3 pt -69.51 151.42 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.841 -1.162 . . . . 2.8 109.692 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.591 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 8.6 tm0? -87.7 152.06 22.44 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.463 -0.773 . . . . 1.66 108.979 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.685 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.5 tt -52.17 -53.76 39.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.339 -0.851 . . . . 1.54 112.085 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 64.1 p-90 -77.15 -30.58 55.12 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.202 -1.561 . . . . 1.16 110.259 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -58.18 -43.6 87.57 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.333 -1.358 . . . . 2.34 107.333 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.509 ' HB2' HD12 ' A' ' 25' ' ' ILE . 40.1 t80 -68.31 -49.22 61.91 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.389 0.614 . . . . 0.86 110.082 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.94 -35.35 80.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.884 -1.135 . . . . 1.52 109.577 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.5 tp -66.34 -48.43 70.27 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.831 -1.168 . . . . 1.91 110.563 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -66.81 -37.99 85.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 119.975 -1.703 . . . . 2.46 108.578 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.662 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.5 tm? -64.78 -39.35 93.45 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.82 0.819 . . . . 1.54 108.968 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' A' ' 53' ' ' PHE . 55.2 tp -48.58 -43.39 35.8 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.734 -0.604 . . . . 1.45 109.491 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -123.02 69.77 1.0 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.595 -0.691 . . . . 1.68 110.07 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -126.34 -80.61 0.61 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.349 -0.845 . . . . 3.08 110.342 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' H ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -73.96 -167.31 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.244 -0.91 . . . . 3.33 110.23 -178.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 47.2 t -61.24 -37.32 82.64 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.914 -1.117 . . . . 2.66 110.665 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 44' ' ' ILE . 3.6 m 79.99 -50.48 0.37 Allowed 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.701 0.762 . . . . 2.22 109.398 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.84 -32.58 60.7 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.412 -0.805 . . . . 3.09 111.066 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -27.08 60.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.754 -1.217 . . . . 2.41 111.477 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.06 -7.21 7.75 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 121.131 -0.981 . . . . 1.56 111.305 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt -162.78 -168.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.766 -1.209 . . . . 1.14 108.621 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 44' ' ' ILE . 6.3 m -139.89 128.96 23.64 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.535 -1.353 . . . . 1.71 111.353 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -110.86 126.35 54.58 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.755 -1.202 . . . . 1.46 107.755 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 48' ' ' GLY . 2.1 t -53.53 -170.52 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.724 -1.235 . . . . 2.04 110.498 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 47' ' ' THR . . . -58.38 -120.24 0.01 OUTLIER Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.611 -0.996 . . . . 1.95 110.611 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -108.49 12.91 25.79 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.528 -0.983 . . . . 3.56 111.579 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.24 -115.75 0.57 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.669 -1.372 . . . . 1.32 109.669 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.466 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 50.9 t-105 -163.77 33.71 0.08 Allowed 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.187 -1.184 . . . . 1.06 109.91 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -100.22 131.2 46.3 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 106.311 -1.737 . . . . 2.5 106.311 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.454 ' HZ ' HD13 ' A' ' 44' ' ' ILE . 49.8 t80 -120.12 137.05 54.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.487 -0.758 . . . . 0.82 111.308 -177.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.67 139.89 51.28 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.551 0.691 . . . . 2.34 109.205 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.529 ' HG ' HD11 ' A' ' 44' ' ' ILE . 9.2 mp -91.93 100.98 13.55 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.295 -0.878 . . . . 1.3 110.379 -178.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 58.5 m -74.7 -55.4 5.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.453 -1.404 . . . . 1.6 108.863 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 56' ' ' SER . 98.7 m-20 -138.37 81.78 24.55 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.364 -0.835 . . . . 2.54 110.453 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -74.85 28.32 0.36 Allowed 'Trans proline' 0 N--CA 1.484 0.944 0 C-N-CA 121.747 1.631 . . . . 1.09 110.836 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -70.15 -38.33 75.47 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.723 -1.235 . . . . 2.89 109.423 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -73.72 -38.91 64.66 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.439 -0.788 . . . . 3.15 108.947 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.565 HG22 ' NH2' ' A' ' 64' ' ' ARG . 60.3 t -65.24 -48.16 84.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.267 -0.896 . . . . 0.8 109.4 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.42 86.64 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.134 -1.061 . . . . 0.84 108.134 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -62.76 -44.67 95.58 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.596 0.713 . . . . 3.69 109.226 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.565 ' NH2' HG22 ' A' ' 61' ' ' VAL . 88.5 mtm180 -74.06 -34.78 64.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 3.46 109.749 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.87 -42.55 80.0 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.839 -0.801 . . . . 1.08 108.839 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.05 -16.26 67.8 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.412 -1.075 . . . . 1.09 110.412 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -61.94 -41.14 97.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.774 -1.427 . . . . 2.71 109.669 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -60.48 -36.26 77.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.162 -0.961 . . . . 3.88 109.404 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -91.9 14.09 16.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.42 -0.8 . . . . 2.56 110.421 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 m120 57.24 46.42 18.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.216 -0.927 . . . . 3.49 109.778 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HB2' ' HZ2' ' A' ' 71' ' ' LYS . 9.7 mtmp? -147.24 70.75 11.93 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 2.35 109.338 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -58.16 -8.97 5.55 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 121.407 1.405 . . . . 2.96 110.122 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -99.5 29.12 4.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.395 -0.816 . . . . 5.24 109.02 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.416 ' CE ' ' HZ1' ' A' ' 71' ' ' LYS . 20.9 tpp -68.93 113.52 6.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.061 -1.025 . . . . 2.41 109.03 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.655 ' OD1' ' N ' ' A' ' 77' ' ' GLU . 10.6 t-20 -69.2 151.32 46.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.366 -0.834 . . . . 1.48 110.021 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.471 ' CE1' ' OP1' ' B' ' 6' ' ' ' DC' . 25.9 t80 -67.23 -25.93 66.34 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.366 -0.834 . . . . 1.07 110.503 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.655 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 34.3 tt0 -58.72 -37.6 76.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.501 -1.375 . . . . 2.53 108.939 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.477 ' N ' ' CD ' ' A' ' 78' ' ' LYS . 11.2 mptt -54.76 -35.67 64.02 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.812 -1.155 . . . . 4.23 107.889 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.26 -31.85 68.0 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.577 -0.898 . . . . 1.17 108.577 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.6 m -57.25 -46.16 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.956 -1.09 . . . . 1.39 108.912 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.51 ' NE ' ' O6 ' ' B' ' 9' ' ' ' DG' . 16.5 ttt-85 -85.96 -37.83 18.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.276 -0.89 . . . . 4.74 109.706 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.55 -46.6 94.08 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.58 -1.408 . . . . 0.8 109.58 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -39.28 69.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -1.115 . . . . 1.57 108.688 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.472 HH11 ' HB3' ' A' ' 84' ' ' ARG . 1.3 ttt-85 -59.59 -43.51 93.65 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.77 -1.206 . . . . 2.34 110.154 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -72.98 -17.14 61.49 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.137 -0.977 . . . . 1.39 109.236 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.499 ' OH ' ' NE2' ' A' ' 26' ' ' GLN . 9.3 t80 -75.07 9.86 1.77 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.524 -0.735 . . . . 1.27 111.817 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.4 m-85 -85.31 23.4 1.31 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.774 -1.204 . . . . 1.65 109.316 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.08 -35.75 66.69 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.74 108.091 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 91' ' ' ILE . 9.9 mtpm? -110.3 145.43 37.45 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.734 -1.58 . . . . 2.52 106.734 178.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -77.82 96.6 4.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.918 -1.114 . . . . 2.8 108.086 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.904 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -138.69 -89.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 108.638 -0.875 . . . . 1.28 108.638 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.904 ' H ' HG23 ' A' ' 91' ' ' ILE . 5.9 tt -93.83 129.66 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 120.589 -1.319 . . . . 1.09 110.962 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -121.39 137.7 54.59 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.187 -0.672 . . . . 1.79 109.187 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.582 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 23.7 pttm -69.69 139.85 53.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.785 -1.197 . . . . 2.83 109.753 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.5 m -92.64 137.55 32.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.399 -0.813 . . . . 1.24 110.271 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.16 31.53 0.5 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 2.47 109.561 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.82 -79.13 0.75 Allowed Glycine 0 N--CA 1.49 2.258 0 C-N-CA 119.713 -1.232 . . . . 2.32 110.049 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -108.11 -81.7 0.56 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.333 -1.098 . . . . 3.6 109.263 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -170.51 -40.1 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.781 -1.199 . . . . 5.66 109.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -99.88 21.26 12.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.318 -0.864 . . . . 1.27 108.702 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 101' ' ' VAL . 11.9 m -92.98 133.98 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.124 -0.985 . . . . 1.14 111.399 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -121.89 158.04 29.86 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.035 -1.098 . . . . 1.23 108.035 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -147.69 158.5 44.04 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.912 -1.144 . . . . 2.9 107.912 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.709 ' CE2' HD12 ' A' ' 92' ' ' ILE . 83.2 m-85 -128.66 158.5 38.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.251 -0.905 . . . . 1.16 109.554 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 118.192 -0.908 . . . . 1.98 108.722 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.855 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.139 4.174 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.458 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.993 3.992 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-N19 111.36 4.451 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.745 1 O4'-C1'-N19 111.204 4.255 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 111.778 4.972 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.58 ' C2 ' ' C2 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.745 3.681 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.591 ' H41' ' HE ' ' A' ' 81' ' ' ARG . . . . . . . . 1 C5'--C4' 1.547 4.475 1 O4'-C1'-N19 111.82 5.025 . . . . 1.38 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.631 3.538 . . . . 1.16 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.584 4.73 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 1 O4'-C1'-N19 111.418 4.523 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.444 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.71 4.887 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.444 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.382 4.478 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 111.184 4.23 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.415 4.519 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.404 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.98 0 O4'-C1'-N19 110.488 3.36 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.404 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 111.046 4.057 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 111.565 4.707 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.214 4.268 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.474 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.542 0 C3'-C2'-C1' 107.058 3.113 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 0 O4'-C1'-N19 110.998 3.998 . . . . 1.52 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.503 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.524 1 O4'-C1'-N19 111.628 4.785 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.503 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.03 0 O4'-C1'-N19 110.832 3.791 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.964 5.205 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.597 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.737 0 C3'-C2'-C1' 107.106 3.147 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.597 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 111.47 4.588 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.411 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.413 1 O4'-C1'-N19 111.043 4.054 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.411 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.161 0 O4'-C1'-N19 110.554 3.442 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.022 1 O4'-C1'-N19 111.146 4.183 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.243 4.304 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.551 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.031 1 O4'-C1'-N19 111.425 4.532 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.551 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.451 1 O4'-C1'-N19 111.464 4.58 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.337 3.172 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.463 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.019 1 O4'-C1'-N19 111.271 4.338 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.463 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.375 0 O4'-C1'-N19 110.605 3.506 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 10' ' ' VAL . 14.5 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.414 0.626 . . . . 3.34 109.453 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.593 ' O ' HG23 ' A' ' 11' ' ' ILE . 10.6 tp -136.06 63.43 50.63 Favored Pre-proline 0 N--CA 1.495 1.816 0 O-C-N 120.976 -1.078 . . . . 3.52 109.605 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 12.3 Cg_endo -71.44 -0.83 8.77 Favored 'Trans proline' 0 C--O 1.208 -1.013 0 N-CA-C 108.295 -1.463 . . . . 3.56 108.295 178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.49 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.326 0.584 . . . . 2.93 111.308 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.523 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . . . -63.67 -25.27 68.13 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 3.29 110.777 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.91 -33.25 30.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.876 -1.14 . . . . 2.93 109.893 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' PRO . 55.8 tp -78.18 -39.86 39.47 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.176 -0.952 . . . . 3.23 108.438 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.4 -149.52 0.19 Allowed 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.056 -0.72 . . . . 3.32 109.056 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.52 8.67 76.66 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.631 -1.788 . . . . 3.34 108.631 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 27.8 p90 -71.48 133.04 45.57 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.641 -0.917 . . . . 3.66 109.454 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 20' ' ' THR . 89.4 m -125.88 -6.02 6.8 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.571 -0.705 . . . . 4.79 110.344 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.4 -7.82 87.77 Favored Glycine 0 N--CA 1.499 2.858 0 C-N-CA 119.704 -1.236 . . . . 5.2 110.776 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.3 m -103.87 18.34 22.18 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.364 -1.08 . . . . 4.83 109.626 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 -173.09 38.95 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 110.085 -1.206 . . . . 3.71 110.085 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -54.36 142.15 69.95 Favored 'Trans proline' 0 C--N 1.322 -0.837 0 C-N-CA 121.681 1.587 . . . . 3.25 109.881 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 tt -75.93 141.29 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.18 -0.95 . . . . 2.8 110.421 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.64 127.75 36.39 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.203 -0.936 . . . . 1.66 109.026 179.137 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD13 ' C ' ' A' ' 27' ' ' LEU . 1.4 tm? -53.75 -59.28 4.82 Favored 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 113.01 0.744 . . . . 1.54 113.01 -176.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 51.7 p-90 -68.23 -34.27 75.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.546 -1.347 . . . . 1.16 110.903 -178.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.464 ' H ' ' HG3' ' A' ' 26' ' ' GLN . 18.8 tt0 -59.97 -43.81 94.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.613 -1.304 . . . . 2.34 107.906 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -67.0 -48.82 67.25 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.881 -0.512 . . . . 0.86 110.055 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.26 -49.23 78.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.268 -0.895 . . . . 1.52 109.393 -178.535 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -66.29 -32.96 74.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 1.91 109.235 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -59.89 -41.08 90.82 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.571 -1.27 . . . . 2.46 107.571 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.81 -36.18 78.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 1.54 109.357 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' CB ' ' HE1' ' A' ' 46' ' ' TRP . 7.5 mp -65.72 -25.24 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.012 -1.055 . . . . 1.45 109.279 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.8 p -121.6 62.58 0.92 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.246 -0.909 . . . . 1.68 110.757 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -132.57 -74.34 0.5 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.275 -1.009 . . . . 3.08 108.275 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.585 ' H ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -118.0 -163.52 0.95 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.723 -0.61 . . . . 3.33 109.41 179.332 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.55 ' C ' ' H ' ' A' ' 41' ' ' GLN . 73.6 m -70.54 -47.06 62.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.053 . . . . 2.66 110.528 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 44' ' ' ILE . 6.8 t 57.6 0.36 0.1 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.113 -0.992 . . . . 2.22 108.786 -178.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.55 ' H ' ' C ' ' A' ' 39' ' ' SER . 1.5 tm0? -60.67 -39.99 90.46 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.155 -0.966 . . . . 3.09 109.839 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -77.93 -11.9 59.94 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.638 -0.664 . . . . 2.41 109.537 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -111.78 -12.83 13.79 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.728 -0.607 . . . . 1.56 110.068 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.592 HG22 ' SG ' ' A' ' 40' ' ' CYS . 9.3 tt -165.65 -176.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.863 -1.148 . . . . 1.14 108.227 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -114.24 107.76 16.03 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.017 -1.052 . . . . 1.71 110.682 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.48 ' HE1' ' CB ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.58 112.72 25.83 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 106.967 -1.494 . . . . 1.46 106.967 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.828 HG21 ' H ' ' A' ' 52' ' ' GLU . 11.2 t -49.53 -173.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.814 0.816 . . . . 2.04 111.413 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.3 -108.29 0.06 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.57 -1.012 . . . . 1.95 110.57 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.19 12.38 24.99 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.404 -1.056 . . . . 3.56 111.036 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.75 -116.93 0.9 Allowed Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.861 -2.096 . . . . 1.32 107.861 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.46 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 27.7 t-105 -170.31 37.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -1.104 . . . . 1.06 109.686 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.828 ' H ' HG21 ' A' ' 47' ' ' THR . 79.9 mm-40 -96.42 104.68 16.67 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 106.923 -1.51 . . . . 2.5 106.923 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 40.2 t80 -98.98 119.18 37.33 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.599 -0.688 . . . . 0.82 109.71 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -116.61 134.99 54.18 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.558 0.694 . . . . 2.34 109.575 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HG ' HD11 ' A' ' 44' ' ' ILE . 10.5 mp -90.4 104.49 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.415 -0.803 . . . . 1.3 110.42 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.3 m -76.47 -68.32 0.6 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.265 -0.897 . . . . 1.6 108.871 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' ASP . 65.2 t0 -146.58 75.31 12.3 Favored Pre-proline 0 N--CA 1.5 2.042 0 O-C-N 120.936 -1.103 . . . . 2.54 110.909 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.55 55.75 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.371 1.381 . . . . 1.09 109.492 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 60' ' ' GLU . 37.2 p-10 -71.39 -37.15 71.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.794 -1.191 . . . . 2.89 110.229 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 79.4 mm-40 -84.91 -34.4 22.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.961 -1.087 . . . . 3.15 109.443 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.32 -43.89 94.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.32 -0.862 . . . . 0.8 109.46 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.63 87.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.303 -0.873 . . . . 0.84 109.259 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -59.6 -44.23 93.47 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.464 -0.939 . . . . 3.69 108.464 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.523 ' NH1' ' HB2' ' A' ' 14' ' ' ALA . 21.7 ttm-85 -67.13 -33.31 75.16 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.829 -0.804 . . . . 3.46 108.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CD1' HD21 ' A' ' 79' ' ' LEU . 6.9 t-105 -59.82 -43.2 94.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.518 -0.739 . . . . 1.08 109.089 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.33 -25.43 28.48 Favored Glycine 0 N--CA 1.496 2.665 0 C-N-CA 120.464 -0.874 . . . . 1.09 111.113 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -63.41 -41.52 98.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.869 -1.371 . . . . 2.71 109.589 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.53 -23.23 62.66 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.225 -0.922 . . . . 3.88 108.644 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -90.81 4.6 51.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.494 -0.754 . . . . 2.56 109.752 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.86 55.27 7.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.908 . . . . 3.49 110.227 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -127.95 150.06 72.53 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.271 -1.011 . . . . 2.35 108.271 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -48.72 -79.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.112 1.208 . . . . 2.96 110.403 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -134.69 149.33 50.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.201 -0.937 . . . . 5.24 109.9 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.5 ttm -126.26 115.29 19.48 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.374 -0.602 . . . . 2.41 109.374 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -71.07 159.81 34.04 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 1.48 109.34 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.543 ' OH ' ' CE1' ' A' ' 102' ' ' TYR . 57.9 t80 -66.71 -20.53 65.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.689 -0.856 . . . . 1.07 108.689 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.904 -1.122 . . . . 2.53 110.401 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -59.35 -35.33 73.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 4.23 109.067 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 65' ' ' TRP . 1.3 mm? -63.24 -41.2 99.06 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.604 -0.888 . . . . 1.17 108.604 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.3 m -59.19 -43.25 92.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.039 -1.038 . . . . 1.39 109.996 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.591 ' HE ' ' H41' ' B' ' 7' ' ' ' DC' . 1.0 OUTLIER -67.57 -40.08 84.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.728 -1.233 . . . . 4.74 110.113 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.53 -45.75 6.35 Favored Glycine 0 N--CA 1.495 2.589 0 C-N-CA 120.01 -1.091 . . . . 0.8 110.742 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -63.77 -43.96 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.213 -1.169 . . . . 1.57 108.869 -179.328 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -58.8 -44.29 90.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.889 -1.132 . . . . 2.34 109.822 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 55.0 t80 -76.38 -10.99 59.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.1 -1.0 . . . . 1.39 109.129 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.541 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 31.6 t80 -72.28 3.05 5.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.248 -0.907 . . . . 1.27 111.53 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 7.8 m-85 -75.96 66.99 2.26 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.629 -1.294 . . . . 1.65 108.112 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.91 -55.78 5.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.241 -0.912 . . . . 2.74 110.758 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.564 ' CG ' ' H ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -117.14 -90.39 0.56 Allowed 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.671 0.748 . . . . 2.52 109.302 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.564 ' H ' ' CG ' ' A' ' 89' ' ' LYS . 76.9 m-20 -158.72 90.36 1.0 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.119 -0.697 . . . . 2.8 109.119 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.982 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.1 tp -136.56 -89.38 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.89 . . . . 1.28 111.345 -178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.982 ' H ' HG23 ' A' ' 91' ' ' ILE . 6.7 tt -96.83 127.45 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.873 -1.142 . . . . 1.09 109.24 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -120.06 159.97 23.73 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.644 0.735 . . . . 1.79 109.39 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.536 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 21.8 pttp -97.04 140.0 32.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.471 -0.768 . . . . 2.83 109.916 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 97' ' ' GLY . 85.5 m -90.97 133.8 34.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.444 -0.785 . . . . 1.24 109.52 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.53 18.6 0.55 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 2.47 110.473 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.592 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.25 -81.68 0.6 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.55 -1.42 . . . . 2.32 109.55 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' H ' HG21 ' A' ' 101' ' ' VAL . 18.0 tttm -105.96 -161.83 0.83 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.287 -1.125 . . . . 3.6 108.815 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.423 ' H ' ' HG2' ' A' ' 98' ' ' LYS . 97.9 mtt180 -98.07 -23.85 15.58 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.042 -1.036 . . . . 5.66 110.909 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.2 20.28 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.106 -0.996 . . . . 1.27 110.447 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.441 HG21 ' H ' ' A' ' 98' ' ' LYS . 11.5 m -92.34 128.15 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.785 -1.197 . . . . 1.14 111.644 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CE1' ' OH ' ' A' ' 76' ' ' TYR . 52.7 m-85 -125.27 155.79 39.6 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.567 -0.901 . . . . 1.23 108.567 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -150.13 158.93 44.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.912 . . . . 2.9 108.578 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 92' ' ' ILE . 60.2 m-85 -130.82 157.96 41.47 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.446 -0.784 . . . . 1.16 109.793 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.444 HG23 ' OXT' ' A' ' 105' ' ' VAL . 4.9 m . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 118.195 -0.907 . . . . 1.98 109.756 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.874 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.469 1 O4'-C1'-N19 111.47 4.588 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.378 0 O4'-C1'-N19 110.81 3.762 . . . . 1.68 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.586 0 O4'-C1'-N19 110.742 3.678 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.939 1 O4'-C1'-N19 111.403 4.504 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.561 ' C5 ' ' C4 ' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.686 1 O4'-C1'-N19 111.918 5.148 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.561 ' C4 ' ' C5 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 112.062 5.328 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.552 ' N4 ' ' C2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.213 0 O4'-C1'-N19 110.81 3.763 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.426 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.83 3.787 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.483 1 O4'-C1'-N19 111.191 4.239 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.119 4.148 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 1.53 1 O4'-C1'-N19 111.282 4.352 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.761 1 O4'-C1'-N19 112.038 5.298 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.789 1 O4'-C1'-N19 111.085 4.106 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 111.369 4.461 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.865 0 O4'-C1'-N19 110.737 3.671 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 1 O4'-C1'-N19 111.357 4.446 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.057 1 O4'-C1'-N19 111.266 4.332 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 0 O4'-C1'-N19 110.769 3.711 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.416 ' H6 ' " O5'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.54 3.425 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.409 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.223 4.279 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.553 ' C6 ' ' C6 ' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.036 1 O4'-C1'-N19 111.683 4.854 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.553 ' C6 ' ' C6 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.511 3.388 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.69 1 O4'-C1'-N19 111.603 4.754 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.599 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O4'-C1'-N19 110.6 3.5 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.599 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.462 1 O4'-C1'-N19 111.842 5.052 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 1 O4'-C1'-N19 111.733 4.917 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.553 H2'' " O4'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 C3'-C2'-C1' 106.85 2.964 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.553 " O4'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.848 0 O4'-C1'-N19 110.823 3.779 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.552 ' C2 ' ' N4 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.903 1 O4'-C1'-N19 112.346 5.682 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.551 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.702 0 O4'-C1'-N19 110.68 3.599 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.551 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.634 4.793 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.259 3.073 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.524 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.25 0 O4'-C1'-N19 110.987 3.983 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.524 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.974 3.968 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 10' ' ' VAL . 8.8 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.537 -0.542 . . . . 3.34 109.537 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -138.87 45.51 0.97 Allowed Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.859 -1.151 . . . . 3.52 110.162 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 9.6 Cg_endo -60.55 -10.79 14.71 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 C-N-CA 121.349 1.366 . . . . 3.56 108.831 178.267 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.49 -38.23 63.47 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.25 -0.648 . . . . 2.93 109.25 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -29.79 71.1 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -0.912 . . . . 3.29 109.149 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.57 -27.35 37.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 2.93 110.022 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.581 HD12 ' OE2' ' A' ' 33' ' ' GLU . 4.6 mm? -73.47 -36.47 65.84 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.245 -1.391 . . . . 3.23 107.245 178.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.99 166.84 14.2 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.94 -1.133 . . . . 3.32 107.94 177.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.83 -6.83 73.68 Favored Glycine 0 N--CA 1.498 2.807 0 C-N-CA 119.815 -1.183 . . . . 3.34 110.361 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.731 ' CZ ' HG22 ' A' ' 25' ' ' ILE . 28.2 p90 -75.94 124.17 26.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.848 -1.383 . . . . 3.66 109.099 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -123.84 12.05 9.09 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.532 -0.73 . . . . 4.79 109.039 179.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.93 -4.97 73.7 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.58 -1.408 . . . . 5.2 109.58 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -118.0 15.67 14.21 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.404 -1.057 . . . . 4.83 109.927 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.1 -170.37 51.0 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.305 -1.518 . . . . 3.71 109.305 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -54.03 140.01 70.27 Favored 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.145 1.23 . . . . 3.25 109.455 -179.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.731 HG22 ' CZ ' ' A' ' 19' ' ' TYR . 47.4 pt -76.48 153.97 5.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.322 -0.861 . . . . 2.8 111.102 -178.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 11.5 tm0? -88.04 153.56 21.18 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.044 -1.095 . . . . 1.66 108.044 179.191 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.565 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 9.8 tt -59.38 -55.46 34.38 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.661 -1.275 . . . . 1.54 112.016 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 66.0 p-90 -77.62 -31.77 53.06 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.438 -1.414 . . . . 1.16 111.299 -178.423 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -58.98 -39.97 83.38 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 106.604 -1.628 . . . . 2.34 106.604 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.641 ' HB2' HD12 ' A' ' 25' ' ' ILE . 54.0 t80 -68.22 -51.7 42.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.244 -0.65 . . . . 0.86 109.244 178.131 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -58.86 -50.48 73.85 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.261 -1.385 . . . . 1.52 107.261 179.669 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.94 -46.45 89.36 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.617 -0.677 . . . . 1.91 110.365 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.581 ' OE2' HD12 ' A' ' 16' ' ' LEU . 52.7 tp10 -62.44 -41.65 98.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.95 -1.093 . . . . 2.46 108.441 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -69.8 -41.62 74.8 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.025 -1.102 . . . . 1.54 108.025 179.394 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.04 -38.17 70.23 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 1.45 109.384 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -93.14 49.02 1.37 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.42 -0.8 . . . . 1.68 110.991 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -106.44 150.53 25.97 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.152 -0.968 . . . . 3.08 108.961 178.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.5 tppp? -70.23 -15.74 62.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.46 -0.775 . . . . 3.33 110.955 -179.168 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -72.05 62.31 0.46 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.358 -1.464 . . . . 2.66 107.7 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 41.4 t -82.0 -72.22 0.45 Allowed 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.698 0.761 . . . . 2.22 111.196 -178.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' A' ' 42' ' ' SER . 35.3 mt-30 -66.66 150.47 49.0 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.638 -0.664 . . . . 3.09 110.888 -178.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.558 ' OG ' ' CD2' ' A' ' 43' ' ' PHE . 5.5 p 84.65 -26.13 0.11 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.607 -0.516 . . . . 2.41 109.607 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD2' ' OG ' ' A' ' 42' ' ' SER . 95.1 m-85 -123.67 -29.89 3.66 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.545 -0.722 . . . . 1.56 110.31 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.611 ' CG1' ' H ' ' A' ' 45' ' ' SER . 5.2 tt -165.76 -169.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.99 -1.069 . . . . 1.14 109.927 -178.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.611 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 15.2 t -137.4 124.79 21.93 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.012 -1.055 . . . . 1.71 111.177 -178.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.402 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -111.2 114.0 26.9 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 107.526 -1.287 . . . . 1.46 107.526 178.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.2 p -64.97 151.77 45.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.869 -1.144 . . . . 2.04 109.676 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.36 37.57 3.75 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.17 -1.572 . . . . 1.95 109.17 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -108.07 -123.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.442 -0.948 . . . . 3.56 108.442 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.31 0.35 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.277 -1.529 . . . . 1.32 109.277 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.43 ' HE1' ' HB2' ' A' ' 104' ' ' PHE . 56.5 t-105 -141.8 78.14 1.62 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.227 -1.16 . . . . 1.06 108.725 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -125.58 123.92 40.1 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.699 -1.223 . . . . 2.5 107.699 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -113.94 127.6 56.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.41 -0.806 . . . . 0.82 109.441 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -115.37 134.26 55.27 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.785 0.802 . . . . 2.34 109.979 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.84 115.75 27.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.632 -0.668 . . . . 1.3 109.377 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 41.1 p -79.17 -72.27 0.4 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.025 -1.047 . . . . 1.6 110.049 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 56' ' ' SER . 40.5 t0 -144.44 69.77 15.6 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 120.777 -1.202 . . . . 2.54 110.37 -179.772 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -62.62 56.09 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.663 1.576 . . . . 1.09 111.023 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' ASP . 91.2 m-20 -74.3 -33.09 63.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.179 -1.575 . . . . 2.89 109.861 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -85.35 -34.36 21.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.975 -1.078 . . . . 3.15 109.222 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.65 -43.04 90.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.086 -0.709 . . . . 0.8 109.086 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.85 95.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 0.84 109.836 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 63' ' ' ARG . 16.5 mtt-85 -64.08 -42.68 96.87 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.136 -1.026 . . . . 3.69 108.786 -179.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -66.14 -36.43 83.1 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.711 -0.796 . . . . 3.46 109.145 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -60.0 -40.86 90.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.218 -0.926 . . . . 1.08 109.425 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.95 -29.8 19.48 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.383 -1.087 . . . . 1.09 110.383 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -61.62 -43.92 97.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -1.217 . . . . 2.71 109.719 -179.086 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 1.2 mmp_? -62.25 -10.73 11.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.443 -0.786 . . . . 3.88 109.709 179.619 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -95.78 13.69 25.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.215 -0.928 . . . . 2.56 108.866 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 57.12 49.78 13.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.134 -0.979 . . . . 3.49 109.543 -179.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 72' ' ' PRO . 13.3 mptt -130.51 161.3 61.58 Favored Pre-proline 0 N--CA 1.503 2.202 0 N-CA-C 108.238 -1.023 . . . . 2.35 108.238 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 71' ' ' LYS . 1.1 Cg_endo -59.26 -150.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.905 0 N-CA-C 108.442 -1.407 . . . . 2.96 108.442 178.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -86.94 130.17 34.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.521 -1.362 . . . . 5.24 108.972 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.01 136.95 52.56 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.536 0.684 . . . . 2.41 109.698 -179.135 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -74.6 174.01 9.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.761 . . . . 1.48 110.613 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.04 -17.44 63.26 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.431 0.634 . . . . 1.07 109.701 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.91 -36.4 74.65 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.923 -1.11 . . . . 2.53 110.005 -178.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -31.44 68.65 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.671 -1.268 . . . . 4.23 109.652 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.19 -48.69 67.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.814 -1.179 . . . . 1.17 109.302 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 99.6 p -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.914 -1.116 . . . . 1.39 109.056 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.588 ' O ' ' NH1' ' A' ' 84' ' ' ARG . 82.8 mtm180 -63.41 -41.41 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.509 -0.744 . . . . 4.74 109.574 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.4 -43.41 6.57 Favored Glycine 0 N--CA 1.496 2.644 0 O-C-N 120.927 -1.108 . . . . 0.8 111.604 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.623 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -61.03 -49.75 76.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.849 -1.383 . . . . 1.57 109.819 -178.608 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.623 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -55.24 -45.15 76.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.436 -1.415 . . . . 2.34 109.026 -178.799 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.435 ' N ' ' CG ' ' A' ' 84' ' ' ARG . 75.6 t80 -58.63 -18.44 30.51 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.787 -1.196 . . . . 1.39 108.645 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -75.41 63.64 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.286 -0.884 . . . . 1.27 110.428 -179.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.623 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 39.8 m-85 -117.43 6.74 12.64 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.281 -1.007 . . . . 1.65 108.281 177.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -70.56 -42.95 70.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 2.74 109.175 -179.32 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -104.51 134.23 48.04 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.14 -1.059 . . . . 2.52 108.14 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -80.89 86.69 6.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.74 -1.208 . . . . 2.8 107.74 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.525 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -136.01 -40.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 107.946 -1.131 . . . . 1.28 107.946 -178.882 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.416 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 10.5 tt -140.12 133.54 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.465 -0.772 . . . . 1.09 109.354 179.384 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -135.43 156.0 49.62 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.716 -0.846 . . . . 1.79 108.716 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -77.09 150.57 35.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.328 -0.857 . . . . 2.83 110.31 -179.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 97' ' ' GLY . 38.7 m -86.95 143.7 27.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 1.24 108.383 179.184 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.78 10.52 0.67 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.367 -0.833 . . . . 2.47 109.854 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 95' ' ' THR . . . -81.84 -103.96 0.39 Allowed Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.116 -1.594 . . . . 2.32 109.116 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.47 ' H ' HG21 ' A' ' 101' ' ' VAL . 61.1 mttm -102.08 176.46 5.19 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.477 -1.014 . . . . 3.6 109.208 179.799 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -81.92 -9.08 59.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.482 -0.761 . . . . 5.66 110.157 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -98.53 -9.0 25.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.95 . . . . 1.27 110.004 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.47 HG21 ' H ' ' A' ' 98' ' ' LYS . 10.5 m -95.48 137.28 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.692 -1.255 . . . . 1.14 111.292 -179.059 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -114.61 170.8 8.05 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.495 -0.753 . . . . 1.23 109.676 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.414 ' HD3' ' H ' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -153.05 156.81 39.46 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.953 -1.128 . . . . 2.9 107.953 -179.803 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.43 ' HB2' ' HE1' ' A' ' 51' ' ' TRP . 31.4 m-85 -130.66 163.05 28.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.199 -0.938 . . . . 1.16 110.67 -179.235 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.097 -0.954 . . . . 1.98 108.882 179.93 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.508 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 111.411 4.514 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.129 1 O4'-C1'-N19 111.107 4.134 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.333 4.416 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 1 O4'-C1'-N19 111.469 4.587 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.547 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.776 4.97 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.663 H2'' ' OP2' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 112.311 5.639 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.663 ' OP2' H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.284 1 O4'-C1'-N19 111.736 4.92 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.61 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.689 0 O4'-C1'-N19 110.941 3.926 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.617 4.772 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.061 1 O4'-C1'-N19 111.625 4.781 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 1 O4'-C1'-N19 111.281 4.351 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.404 4.506 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.435 4.543 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.393 4.492 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.446 ' H6 ' " O5'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.566 0 C3'-C2'-C1' 106.803 2.93 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.423 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.915 1 O4'-C1'-N19 111.213 4.266 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.481 1 O4'-C1'-N19 111.194 4.242 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.8 3.749 . . . . 2.42 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.472 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.958 0 O4'-C1'-N19 110.311 3.138 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.472 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.147 0 O4'-C1'-N19 110.802 3.752 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.409 ' C2 ' ' C2 ' ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.67 4.837 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.563 1 O4'-C1'-N19 111.134 4.168 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 1 O4'-C1'-N19 111.62 4.774 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.448 H5'' ' HZ3' ' A' ' 69' ' ' LYS . . . . . . . . 0 C5'--C4' 1.53 2.421 0 O4'-C1'-N19 110.856 3.82 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.481 ' OP1' ' SD ' ' A' ' 74' ' ' MET . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.764 4.955 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.53 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.511 1 O4'-C1'-N19 111.066 4.082 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.53 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.39 4.488 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.532 ' N2 ' ' C6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.047 4.059 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.486 ' N2 ' ' N3 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.387 1 O4'-C1'-N19 112.156 5.445 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.466 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.447 4.559 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.466 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.295 1 O4'-C1'-N19 111.521 4.651 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.472 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.221 0 C3'-C2'-C1' 106.934 3.025 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.531 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.925 3.906 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.531 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.107 4.134 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 10' ' ' VAL . 25.3 m . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.5 0.666 . . . . 3.34 109.433 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.451 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -143.79 60.13 8.0 Favored Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 120.856 -1.152 . . . . 3.52 108.14 179.407 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 13.5 Cg_endo -71.01 -8.09 22.84 Favored 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.174 1.249 . . . . 3.56 108.868 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.16 -52.24 27.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.548 -0.72 . . . . 2.93 110.463 -178.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.61 -21.92 64.78 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.039 -1.038 . . . . 3.29 109.31 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.65 -15.24 35.45 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.462 -0.774 . . . . 2.93 110.327 -179.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.66 -60.76 2.24 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.783 -1.198 . . . . 3.23 108.624 179.566 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.43 -3.44 58.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 3.32 110.507 -179.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.15 74.06 0.42 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 108.114 -1.994 . . . . 3.34 108.114 -178.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.453 ' CZ ' ' NH2' ' A' ' 68' ' ' ARG . 15.2 t80 -74.09 127.77 33.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.591 -0.947 . . . . 3.66 110.59 -178.119 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 m -97.27 142.42 29.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.702 -0.624 . . . . 4.79 109.342 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.08 -24.76 52.11 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.284 -1.526 . . . . 5.2 109.284 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.9 m -107.66 148.6 29.16 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.458 -1.024 . . . . 4.83 109.915 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 69.51 1.39 Allowed Glycine 0 N--CA 1.488 2.125 0 N-CA-C 108.979 -1.648 . . . . 3.71 108.979 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -58.85 140.36 94.83 Favored 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.254 1.303 . . . . 3.25 109.594 -179.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.446 HG12 ' H ' ' A' ' 26' ' ' GLN . 18.3 tt -78.09 177.63 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 N-CA-C 108.533 -0.914 . . . . 2.8 108.533 179.777 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.809 ' NE2' ' H ' ' A' ' 29' ' ' GLN . 1.5 tm0? -80.47 158.09 25.99 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.237 -0.915 . . . . 1.66 110.09 -179.371 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.547 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -53.6 -78.06 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 113.212 0.819 . . . . 1.54 113.212 -176.47 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.656 ' CD1' ' NE2' ' A' ' 26' ' ' GLN . 66.2 p-90 -56.65 -25.42 53.45 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.203 -1.561 . . . . 1.16 111.004 -176.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.809 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 8.6 mm100 -64.01 -40.56 96.63 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.322 -1.362 . . . . 2.34 107.322 177.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 25.9 t80 -65.72 -52.63 49.72 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.527 -0.733 . . . . 0.86 109.371 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.81 -44.48 89.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 1.52 110.618 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.75 -43.15 89.78 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.149 -0.969 . . . . 1.91 110.536 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.2 -45.73 90.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.971 -1.08 . . . . 2.46 109.142 -178.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -67.59 -31.01 70.77 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.605 -0.887 . . . . 1.54 108.605 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.64 -40.22 86.94 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.246 -0.909 . . . . 1.45 110.609 -178.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -110.16 65.4 0.62 Allowed 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.317 -0.864 . . . . 1.68 109.855 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -135.81 -125.5 0.15 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.608 0.718 . . . . 3.08 109.49 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 169.76 0.48 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.33 -0.857 . . . . 3.33 110.145 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -75.5 104.88 6.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 2.66 107.715 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 44' ' ' ILE . 11.6 t -86.25 0.88 52.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.22 109.561 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.2 -30.45 64.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.054 -1.029 . . . . 3.09 109.771 -179.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -80.38 -15.02 57.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.112 -0.992 . . . . 2.41 109.158 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -114.68 -10.35 12.47 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.219 -0.926 . . . . 1.56 109.495 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.645 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 7.3 tt -161.6 -171.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.142 -0.973 . . . . 1.14 109.197 -179.315 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.452 ' H ' HG12 ' A' ' 44' ' ' ILE . 46.9 t -113.98 111.89 22.4 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.027 -1.045 . . . . 1.71 110.062 -179.439 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.99 109.73 19.33 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.587 -1.264 . . . . 1.46 107.587 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 11.4 t -52.91 -177.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.837 -1.165 . . . . 2.04 110.891 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 47' ' ' THR . . . -56.93 -117.45 0.01 OUTLIER Glycine 0 N--CA 1.495 2.63 0 O-C-N 121.336 -0.853 . . . . 1.95 111.138 -179.184 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -109.84 17.29 21.34 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.946 -1.326 . . . . 3.56 111.082 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.18 -115.61 0.78 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.716 -1.753 . . . . 1.32 108.716 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -168.06 61.77 0.07 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.179 -1.189 . . . . 1.06 109.611 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.471 ' H ' ' CG2' ' A' ' 47' ' ' THR . 16.8 tp10 -122.41 102.48 8.12 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.409 -1.7 . . . . 2.5 106.409 178.389 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.645 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 29.5 t80 -106.15 119.52 39.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.488 -0.758 . . . . 0.82 110.192 -177.296 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -114.97 130.19 56.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.868 -0.79 . . . . 2.34 108.868 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.2 mp -87.64 97.96 11.16 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.543 -0.723 . . . . 1.3 110.414 -178.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 46.4 t -77.64 -60.44 2.37 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.58 -0.7 . . . . 1.6 110.42 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 56' ' ' SER . 94.9 m-20 -139.38 77.61 29.1 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.133 -0.979 . . . . 2.54 111.375 -178.549 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -76.15 57.11 5.15 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 121.684 1.589 . . . . 1.09 108.329 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.77 -41.29 68.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.372 -0.83 . . . . 2.89 109.962 -179.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -87.08 -30.59 21.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 3.15 109.455 -178.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -68.31 -54.03 24.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 121.35 -0.844 . . . . 0.8 110.154 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.53 97.23 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 0.84 110.092 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.548 ' CG ' HH11 ' A' ' 63' ' ' ARG . 0.6 OUTLIER -59.4 -44.01 92.9 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.81 -1.181 . . . . 3.69 108.61 -179.799 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -74.29 -31.81 62.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.333 -0.855 . . . . 3.46 109.453 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.439 ' CD1' HD21 ' A' ' 79' ' ' LEU . 20.1 t-105 -59.94 -35.16 74.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.054 -1.029 . . . . 1.08 110.076 -179.305 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.42 -25.02 44.78 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 109.748 -1.341 . . . . 1.09 109.748 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -60.01 -36.06 76.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.028 -1.277 . . . . 2.71 109.606 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' NH2' ' CZ ' ' A' ' 19' ' ' TYR . 31.1 mmt180 -58.4 -31.77 68.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.085 -1.009 . . . . 3.88 109.617 -179.435 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' HZ3' H5'' ' C' ' 24' ' ' ' DT' . 7.9 mmtp -98.7 7.13 46.45 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.25 -0.906 . . . . 2.56 109.534 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.99 37.86 11.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.475 -0.766 . . . . 3.49 109.094 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -140.22 69.01 34.1 Favored Pre-proline 0 N--CA 1.497 1.902 0 N-CA-C 108.952 -0.758 . . . . 2.35 108.952 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -56.37 -9.3 3.43 Favored 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 121.854 1.703 . . . . 2.96 110.437 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -90.4 24.01 2.75 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.864 . . . . 5.24 109.458 -179.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.481 ' SD ' ' OP1' ' C' ' 25' ' ' ' DT' . 8.4 mmm -81.36 119.05 23.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.135 -0.978 . . . . 2.41 109.433 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 78' ' ' LYS . 21.8 p30 -72.81 169.79 16.02 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.954 0.883 . . . . 1.48 110.803 -179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -70.84 -29.62 65.8 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.653 0.74 . . . . 1.07 109.087 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.04 -30.87 69.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.32 -0.862 . . . . 2.53 110.255 -178.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.486 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 60.4 mttp -58.96 -37.3 76.46 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.881 -1.137 . . . . 4.23 109.204 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 65' ' ' TRP . 2.9 mm? -66.29 -49.23 67.76 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.012 -1.055 . . . . 1.17 109.057 179.079 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -59.47 -43.74 93.19 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.029 -1.1 . . . . 1.39 108.029 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.514 HH22 ' H41' ' B' ' 7' ' ' ' DC' . 50.6 mtt-85 -68.96 -43.31 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.208 -0.932 . . . . 4.74 108.616 178.378 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . -67.8 -46.81 64.9 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 110.059 -1.217 . . . . 0.8 110.059 -179.267 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.689 HD22 HD12 ' A' ' 92' ' ' ILE . 7.6 mt -67.73 -30.39 69.86 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.747 -1.443 . . . . 1.57 109.887 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -50.18 -50.02 50.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.984 -1.072 . . . . 2.34 109.524 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -73.07 -22.55 60.57 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.45 -0.781 . . . . 1.39 109.877 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.467 ' HB3' HD23 ' A' ' 83' ' ' LEU . 10.5 t80 -75.98 70.05 2.65 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.503 -0.748 . . . . 1.27 109.836 -178.532 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 94' ' ' LYS . 16.8 m-85 -140.55 22.34 2.34 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.91 -0.774 . . . . 1.65 108.91 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -78.78 -37.97 39.68 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.115 -1.068 . . . . 2.74 108.115 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -103.85 141.7 35.68 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.53 -1.285 . . . . 2.52 107.53 178.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -80.15 92.24 5.65 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.607 -1.257 . . . . 2.8 107.607 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.452 ' O ' HD12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -139.77 -51.98 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 115.859 -0.609 . . . . 1.28 109.907 -178.181 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.691 HD13 ' C ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -129.88 128.88 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.033 -1.042 . . . . 1.09 109.862 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.586 ' N ' HD13 ' A' ' 92' ' ' ILE . 13.6 m-70 -128.94 160.17 33.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.312 -0.867 . . . . 1.79 109.478 -179.071 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.553 ' N ' ' OH ' ' A' ' 87' ' ' TYR . 27.7 ttpp -94.75 139.38 31.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.441 -0.787 . . . . 2.83 109.594 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 97' ' ' GLY . 32.1 m -87.56 141.61 28.49 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.225 -0.922 . . . . 1.24 110.129 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.35 19.71 0.1 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.526 -0.733 . . . . 2.47 111.234 -178.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 95' ' ' THR . . . -79.27 -94.89 0.31 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 108.75 -1.74 . . . . 2.32 108.75 179.171 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.705 ' H ' HG21 ' A' ' 101' ' ' VAL . 42.0 mmtm -107.53 -179.16 3.83 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.31 -1.112 . . . . 3.6 108.312 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -80.23 -8.88 59.65 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.399 -0.813 . . . . 5.66 110.836 -178.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.499 ' CE2' ' OP1' ' B' ' 6' ' ' ' DC' . 85.0 m-85 -106.86 11.24 30.24 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.085 -1.009 . . . . 1.27 110.682 -178.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.705 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.2 t -94.92 132.51 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.892 -1.13 . . . . 1.14 111.218 -177.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CE1' HD13 ' A' ' 83' ' ' LEU . 30.6 m-85 -123.01 157.48 32.63 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.493 -0.928 . . . . 1.23 108.493 178.721 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -146.82 158.34 43.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.021 -1.049 . . . . 2.9 109.226 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.504 ' CE2' ' CG1' ' A' ' 92' ' ' ILE . 38.0 m-85 -134.36 159.94 39.47 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.584 -0.698 . . . . 1.16 110.714 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 117.828 -1.082 . . . . 1.98 109.943 -179.202 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.471 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.607 0 O4'-C1'-N19 110.947 3.933 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.44 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.1 1 O4'-C1'-N19 111.316 4.395 . . . . 1.68 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.456 " O5'" ' H8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.558 0 O4'-C1'-N19 110.773 3.716 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 1 O4'-C1'-N19 111.529 4.661 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.644 H2'' " O5'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.521 1 O4'-C1'-N19 112.168 5.46 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.644 " O5'" H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.524 1 O4'-C1'-N19 111.379 4.474 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.477 ' OP2' ' NE ' ' A' ' 99' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 2.055 1 O4'-C1'-N19 112.096 5.371 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.525 ' OP2' ' NE ' ' A' ' 84' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.828 3.785 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.441 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 112.298 5.622 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.912 3.89 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.403 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.609 4.761 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.403 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.082 1 O4'-C1'-N19 111.996 5.245 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.467 H2'' " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.209 1 O4'-C1'-N19 111.174 4.217 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.467 " O5'" H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.727 4.908 . . . . 0.94 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 0 O4'-C1'-N19 110.425 3.282 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.067 4.084 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 1 O4'-C1'-N19 111.322 4.403 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.384 1 O4'-C1'-N19 111.26 4.324 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.407 H2'' " O5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.423 3.279 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.407 " O5'" H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.213 0 O4'-C1'-N19 110.997 3.996 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.478 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.217 4.272 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.478 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.316 1 O4'-C1'-N19 111.462 4.577 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.346 1 O4'-C1'-N19 111.649 4.812 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.075 2.844 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.069 1 O4'-C1'-N19 111.829 5.037 . . . . 0.92 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.972 3.965 . . . . 1.02 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.488 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.732 1 O4'-C1'-N19 111.076 4.094 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.488 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.045 0 O4'-C1'-N19 110.941 3.926 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.74 4.925 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 0 O4'-C1'-N19 110.768 3.71 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 111.204 4.255 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 C3'-C2'-C1' 106.781 2.915 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.462 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.295 4.368 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.462 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O4'-C1'-N19 110.753 3.691 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 10' ' ' VAL . 6.0 p . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 109.403 -0.591 . . . . 3.34 109.403 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.755 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -143.73 54.45 2.99 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.214 -0.929 . . . . 3.52 108.947 179.274 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 11' ' ' ILE . 11.0 Cg_endo -66.88 -5.6 13.76 Favored 'Trans proline' 0 C--N 1.321 -0.888 0 N-CA-C 108.476 -1.394 . . . . 3.56 108.476 179.562 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.1 94.69 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.473 0.654 . . . . 2.93 109.419 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.22 95.0 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.378 -0.826 . . . . 3.29 110.165 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.71 -20.85 30.53 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.017 -1.052 . . . . 2.93 110.71 -178.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' PRO . 7.9 tp -86.78 -12.99 46.46 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.724 -1.235 . . . . 3.23 108.668 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.36 -70.91 0.39 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.034 -1.041 . . . . 3.32 109.456 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.95 24.02 25.54 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.556 -1.818 . . . . 3.34 108.556 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.06 155.81 39.72 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.438 -1.036 . . . . 3.66 108.539 -179.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.494 ' C ' ' H ' ' A' ' 22' ' ' SER . 85.1 m -91.86 135.85 33.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.938 -1.102 . . . . 4.79 108.711 179.66 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.98 38.91 0.3 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 110.042 -1.223 . . . . 5.2 110.042 -179.232 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.494 ' H ' ' C ' ' A' ' 20' ' ' THR . 47.3 t -108.12 112.4 24.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.495 -1.003 . . . . 4.83 108.938 179.559 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.35 160.45 5.0 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.179 -1.569 . . . . 3.71 109.179 179.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -64.23 143.41 83.49 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 121.073 1.182 . . . . 3.25 110.144 179.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.7 tt -74.11 162.37 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 2.8 108.78 179.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 2.6 tm0? -76.29 146.34 38.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.82 -1.175 . . . . 1.66 108.181 -179.405 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.651 HD23 ' C ' ' A' ' 27' ' ' LEU . 7.7 tt -75.67 -67.15 0.7 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 1.54 112.961 -177.119 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 32.5 p-90 -65.81 -30.61 71.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.439 -1.413 . . . . 1.16 112.761 -176.345 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.59 -41.5 90.44 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.217 -1.552 . . . . 2.34 108.058 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.53 -49.09 62.21 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.626 0.726 . . . . 0.86 109.392 179.291 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.44 -43.98 95.86 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.546 -0.721 . . . . 1.52 109.066 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.6 tp -67.24 -41.04 86.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.479 -0.763 . . . . 1.91 110.077 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.2 -40.02 84.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.06 -1.025 . . . . 2.46 110.021 -179.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.91 -39.43 94.16 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.918 -1.114 . . . . 1.54 110.318 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' CZ2' ' A' ' 46' ' ' TRP . 7.3 mp -59.94 -43.28 95.08 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.17 -0.957 . . . . 1.45 110.564 -179.287 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -94.55 12.59 26.91 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.961 -1.087 . . . . 1.68 111.069 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -118.43 -92.84 0.52 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.157 -0.964 . . . . 3.08 110.811 -179.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -52.89 165.22 0.31 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.531 -0.73 . . . . 3.33 109.646 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -66.43 -130.29 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.219 -1.03 . . . . 2.66 108.219 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ILE . 1.3 p 179.0 -42.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.864 -1.148 . . . . 2.22 109.826 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -54.61 -26.02 30.14 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.774 -0.579 . . . . 3.09 111.139 -178.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -74.91 -34.34 62.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.914 -1.116 . . . . 2.41 111.122 -178.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CE2' ' OE1' ' A' ' 60' ' ' GLU . 71.6 m-85 -128.78 -1.93 5.35 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.171 -0.956 . . . . 1.56 111.474 -178.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.549 HD11 ' HG ' ' A' ' 55' ' ' LEU . 7.9 tt -164.39 -170.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.458 -1.401 . . . . 1.14 109.689 -178.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' HG23 ' A' ' 44' ' ' ILE . 2.8 p -132.97 120.68 21.73 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.95 -1.093 . . . . 1.71 110.313 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.414 ' CZ2' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.14 108.56 20.13 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.09 -1.448 . . . . 1.46 107.09 179.63 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.3 p -58.27 149.19 24.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.92 -1.113 . . . . 2.04 110.084 -179.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.32 47.07 1.11 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.577 -1.409 . . . . 1.95 109.577 179.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -117.43 -118.63 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.491 -1.005 . . . . 3.56 108.787 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -85.4 -86.47 0.97 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.449 -1.46 . . . . 1.32 109.449 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 68.9 t-105 -146.16 57.88 1.21 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.095 -1.238 . . . . 1.06 109.627 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 58.0 mp0 -104.8 120.92 42.53 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.804 -0.813 . . . . 2.5 108.804 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.421 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 64.0 t80 -117.72 128.26 54.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.38 -0.825 . . . . 0.82 109.294 -179.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -127.07 133.93 50.37 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 122.095 0.95 . . . . 2.34 109.866 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.8 mp -86.51 97.81 10.7 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.856 -0.528 . . . . 1.3 110.396 -179.185 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.4 m -78.19 -59.99 2.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 1.6 110.279 179.36 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -134.0 78.66 59.07 Favored Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 121.31 -0.869 . . . . 2.54 110.363 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -75.19 54.42 3.73 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 C-N-CA 121.401 1.401 . . . . 1.09 109.544 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.45 -41.55 69.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.824 -1.172 . . . . 2.89 110.648 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE1' ' CE2' ' A' ' 43' ' ' PHE . 68.8 mt-10 -87.71 -33.92 18.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.686 -1.259 . . . . 3.15 109.721 -179.242 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.65 -45.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.277 -0.89 . . . . 0.8 108.983 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.08 80.96 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.305 -0.872 . . . . 0.84 109.177 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -68.79 -43.9 74.69 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 3.69 109.89 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -62.76 -39.93 95.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.227 -0.921 . . . . 3.46 110.035 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -56.82 -37.44 71.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.115 -0.991 . . . . 1.08 108.761 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.37 -22.01 49.41 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.844 -1.303 . . . . 1.09 109.844 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -65.81 -35.95 82.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.96 -1.317 . . . . 2.71 109.659 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -57.44 -38.64 74.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.266 -0.896 . . . . 3.88 108.905 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -100.91 14.56 31.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.721 . . . . 2.56 109.514 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 58.23 51.97 7.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.729 -0.607 . . . . 3.49 110.528 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -140.89 69.85 29.5 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.047 -1.033 . . . . 2.35 109.546 178.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -72.61 -4.77 15.92 Favored 'Trans proline' 0 C--N 1.319 -1.006 0 C-N-CA 122.028 1.819 . . . . 2.96 111.35 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -99.1 7.97 45.37 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.858 -1.151 . . . . 5.24 111.769 -178.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.4 mmt -88.84 123.07 32.87 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.65 -1.281 . . . . 2.41 109.394 179.48 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' ND2' ' CG ' ' A' ' 77' ' ' GLU . 52.8 p-10 -67.3 -179.89 1.11 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.93 0.872 . . . . 1.48 111.183 -179.161 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.92 -20.4 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.067 -0.716 . . . . 1.07 109.067 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' CG ' ' ND2' ' A' ' 75' ' ' ASN . 65.4 mm-40 -60.09 -31.87 70.44 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.129 -0.982 . . . . 2.53 108.941 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -55.22 -38.07 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.716 -0.846 . . . . 4.23 108.716 179.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 83' ' ' LEU . 9.5 mt -66.9 -39.4 87.41 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.302 -0.873 . . . . 1.17 108.664 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.8 m -65.05 -47.02 78.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.96 -1.088 . . . . 1.39 109.884 179.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.461 HH21 ' H42' ' B' ' 7' ' ' ' DC' . 99.2 mtt180 -64.25 -33.82 76.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.112 -0.993 . . . . 4.74 109.894 -179.084 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.2 -55.3 1.73 Allowed Glycine 0 N--CA 1.492 2.378 0 C-N-CA 120.291 -0.957 . . . . 0.8 110.853 -178.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 83' ' ' LEU . 2.6 tt -61.48 -38.01 85.74 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.117 -1.225 . . . . 1.57 110.123 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.525 ' NE ' ' OP2' ' B' ' 8' ' ' ' DG' . 8.2 tmm_? -59.87 -50.46 73.69 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.183 -1.573 . . . . 2.34 109.349 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.413 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 63.0 t80 -57.37 -11.78 2.07 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.987 -1.071 . . . . 1.39 109.2 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -74.06 9.4 1.59 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.586 -0.696 . . . . 1.27 111.213 -178.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -76.81 13.04 1.11 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.686 -1.259 . . . . 1.65 109.262 179.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.25 -40.05 71.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 2.74 108.441 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -108.32 135.12 50.17 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.819 -0.808 . . . . 2.52 108.819 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -82.53 86.87 6.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.046 -1.034 . . . . 2.8 108.329 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.669 HD13 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -130.23 -57.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 107.815 -1.18 . . . . 1.28 107.815 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.615 ' N ' HG23 ' A' ' 91' ' ' ILE . 14.9 tt -114.59 123.98 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.249 -0.907 . . . . 1.09 109.27 179.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -110.15 147.6 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.312 -0.868 . . . . 1.79 109.606 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 94' ' ' LYS . 2.1 ttmp? -91.05 154.97 19.03 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.655 -0.869 . . . . 2.83 108.655 179.699 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.586 HG22 ' H ' ' A' ' 97' ' ' GLY . 28.4 m -85.74 139.44 31.34 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.423 -1.423 . . . . 1.24 108.706 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.21 46.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.426 -0.796 . . . . 2.47 110.747 -178.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 95' ' ' THR . . . -78.55 -96.84 0.25 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.52 -1.432 . . . . 2.32 109.52 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -106.19 165.08 11.5 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.589 -0.948 . . . . 3.6 108.912 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.515 ' NH1' ' OH ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -85.8 -17.21 36.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.91 -1.119 . . . . 5.66 110.734 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -71.68 -5.56 34.69 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.772 -1.205 . . . . 1.27 110.095 -178.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.48 120.29 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-O 121.875 0.845 . . . . 1.14 110.059 178.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.519 ' CE2' HD13 ' A' ' 83' ' ' LEU . 11.2 m-85 -105.33 150.88 24.81 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.517 -0.739 . . . . 1.23 109.257 179.122 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.412 ' HG3' HH11 ' A' ' 103' ' ' ARG . 29.4 mmm-85 -142.58 164.9 28.87 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.616 -0.883 . . . . 2.9 108.616 -179.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.442 ' CE2' HD12 ' A' ' 92' ' ' ILE . 28.4 m-85 -131.15 162.05 30.78 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.508 -0.745 . . . . 1.16 110.273 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 118.126 -0.94 . . . . 1.98 109.776 -179.282 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.81 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.139 4.173 . . . . 1.89 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 1 O4'-C1'-N19 111.249 4.311 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.248 4.31 . . . . 1.42 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.377 5.721 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C1'-N19 110.724 3.655 . . . . 1.25 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.58 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C1'-N19 111.478 4.598 . . . . 1.23 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.58 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.552 4.69 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.612 ' N7 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.42 1 O4'-C1'-N19 111.416 4.52 . . . . 1.16 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.591 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.972 5.215 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 1 O4'-C1'-N19 111.927 5.158 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.422 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.061 4.076 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.422 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.298 4.373 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.946 5.182 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 1 O4'-C1'-N19 111.131 4.164 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.538 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.28 0 C3'-C2'-C1' 107.025 3.089 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.538 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.542 4.677 . . . . 1.74 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.324 4.405 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.368 4.46 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.486 3.357 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.247 4.308 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.444 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 112.113 5.391 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.478 ' OP1' ' NZ ' ' A' ' 89' ' ' LYS . . . . . . . . 0 O4'--C1' 1.448 2.124 1 O4'-C1'-N19 111.944 5.18 . . . . 0.83 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 1 O4'-C1'-N19 111.442 4.552 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.621 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.354 1 O4'-C1'-N19 111.114 4.143 . . . . 0.74 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.621 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.848 5.06 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.475 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.808 3.76 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.475 " O5'" H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O4'-C1'-N19 110.75 3.687 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.314 4.392 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.532 ' C2 ' ' C4 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 112.402 5.752 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.532 ' C4 ' ' C2 ' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.587 0 O4'-C1'-N19 110.457 3.321 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.527 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.572 4.715 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.417 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.17 2.963 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.407 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.945 3.931 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.407 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 110.959 3.949 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.855 -0.424 . . . . 3.34 109.855 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.6 tp -139.6 64.58 30.41 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 3.52 109.096 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.88 -3.49 12.85 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 N-CA-C 108.04 -1.562 . . . . 3.56 108.04 178.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.23 -51.27 47.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.782 -0.574 . . . . 2.93 110.005 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.55 67.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.295 -0.878 . . . . 3.29 108.814 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.83 -33.62 27.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.728 -0.608 . . . . 2.93 110.59 -179.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.78 -39.23 44.76 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.126 -0.983 . . . . 3.23 109.545 -179.222 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -84.03 -15.53 47.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.296 -0.878 . . . . 3.32 109.929 -179.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.66 -7.11 9.52 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.67 -1.772 . . . . 3.34 108.67 -179.506 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' H ' ' C ' ' A' ' 17' ' ' ALA . 1.2 t80 -72.17 121.1 18.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.912 -0.757 . . . . 3.66 109.765 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 21' ' ' GLY . 30.4 m -126.31 -112.11 0.29 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.738 -0.838 . . . . 4.79 108.738 179.425 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 20' ' ' THR . . . -90.88 57.53 3.31 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.74 -1.344 . . . . 5.2 109.74 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 t -106.74 40.58 1.61 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.313 -1.11 . . . . 4.83 109.312 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 170.53 47.11 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.05 -2.02 . . . . 3.71 108.05 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -68.93 129.59 18.76 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.078 1.041 . . . . 3.25 110.725 -179.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.455 HG12 ' H ' ' A' ' 26' ' ' GLN . 16.8 tt -84.11 -176.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.395 -0.965 . . . . 2.8 108.395 178.803 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 1.8 tm0? -75.48 140.75 43.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.479 -1.388 . . . . 1.66 108.712 -179.736 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.644 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.8 tm? -58.29 -55.16 38.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 1.54 111.297 -178.108 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 54.3 p-90 -73.16 -34.36 66.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 1.16 112.011 -177.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -59.45 -44.37 92.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.274 -1.516 . . . . 2.34 108.256 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -60.08 -43.62 95.37 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.048 -1.032 . . . . 0.86 108.747 178.134 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.67 -48.51 76.88 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.549 -0.72 . . . . 1.52 110.492 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 32' ' ' LEU . 27.9 mt -65.71 -35.29 80.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 1.91 109.621 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -59.61 -43.18 93.83 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.718 -1.239 . . . . 2.46 109.318 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.82 -31.89 59.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.959 -1.088 . . . . 1.54 109.377 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.1 tt -61.03 -47.96 84.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 1.45 110.587 -178.643 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.8 p -97.18 6.84 47.77 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.668 -1.27 . . . . 1.68 112.057 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -106.53 -84.64 0.51 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.018 -1.051 . . . . 3.08 110.492 -179.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.564 ' CE ' ' H ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -56.9 156.23 6.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 3.33 110.149 -179.359 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -65.61 -39.92 92.06 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.52 -0.738 . . . . 2.66 111.326 -178.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' H ' ' CE ' ' A' ' 38' ' ' LYS . 72.7 m 57.78 33.2 22.93 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.697 . . . . 2.22 110.158 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.64 -44.35 6.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.13 -0.981 . . . . 3.09 111.081 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.1 m -80.46 -20.62 43.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.103 -0.998 . . . . 2.41 111.51 -178.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 26.6 m-85 -109.92 -7.53 14.97 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.997 -1.065 . . . . 1.56 109.747 -178.585 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -166.79 173.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.019 -1.104 . . . . 1.14 108.019 -178.27 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 37.4 m -110.93 115.21 29.11 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.892 -1.13 . . . . 1.71 110.058 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CZ2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.62 97.5 6.18 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.268 -1.012 . . . . 1.46 108.268 -179.544 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 p -53.84 153.36 4.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.826 -1.171 . . . . 2.04 109.705 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.98 32.12 6.15 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.273 -1.531 . . . . 1.95 109.273 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.6 -108.49 0.32 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.27 -1.135 . . . . 3.56 109.265 -179.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.44 -104.13 0.36 Allowed Glycine 0 N--CA 1.488 2.137 0 N-CA-C 107.908 -2.077 . . . . 1.32 107.908 179.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -142.32 88.67 2.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.111 -1.229 . . . . 1.06 109.701 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -127.48 121.38 30.6 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.467 -1.308 . . . . 2.5 107.467 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 35.0 t80 -120.9 128.25 52.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 0.82 108.999 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -139.17 132.13 29.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.32 -0.862 . . . . 2.34 110.392 -179.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.747 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.5 mm? -85.01 93.22 8.54 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.949 -0.76 . . . . 1.3 108.949 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.2 t -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.911 -1.118 . . . . 1.6 109.957 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -141.24 82.03 15.06 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 121.249 -0.907 . . . . 2.54 109.549 -179.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -76.04 56.63 4.91 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.042 1.161 . . . . 1.09 109.798 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.11 -45.47 63.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.882 -1.136 . . . . 2.89 110.826 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.32 -31.22 17.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.679 -1.263 . . . . 3.15 109.789 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.62 -45.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.323 -0.951 . . . . 0.8 108.835 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.57 84.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.349 -0.844 . . . . 0.84 108.887 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' NH1' ' A' ' 63' ' ' ARG . 7.5 tpt180 -61.25 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.238 -0.913 . . . . 3.69 108.871 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -61.6 -37.57 84.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 3.46 110.563 179.535 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.443 ' CZ2' HD21 ' A' ' 27' ' ' LEU . 7.5 t-105 -59.75 -43.95 94.05 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.057 -1.027 . . . . 1.08 110.981 -178.098 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.85 -24.95 33.6 Favored Glycine 0 N--CA 1.495 2.633 0 C-N-CA 120.149 -1.024 . . . . 1.09 110.866 -178.294 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.47 -43.64 96.72 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.626 -1.514 . . . . 2.71 108.15 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -60.51 -24.28 65.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.054 -1.029 . . . . 3.88 109.578 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -90.33 21.83 3.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.932 . . . . 2.56 108.904 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 57.53 46.46 17.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.988 . . . . 3.49 110.353 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -132.83 148.9 71.34 Favored Pre-proline 0 N--CA 1.503 2.209 0 O-C-N 121.277 -0.889 . . . . 2.35 108.785 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.09 -86.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.855 1.037 . . . . 2.96 109.728 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -136.57 132.76 35.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.183 -0.948 . . . . 5.24 109.121 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.8 mtp -115.23 144.68 43.34 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.314 -0.866 . . . . 2.41 109.491 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -70.82 163.31 27.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 1.48 110.612 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 82.3 t80 -66.5 -19.41 65.78 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.55 -0.907 . . . . 1.07 108.55 179.029 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.7 -30.25 68.66 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.69 -0.804 . . . . 2.53 108.973 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -34.39 72.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.982 -1.074 . . . . 4.23 108.965 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 83' ' ' LEU . 6.6 mt -69.6 -42.11 74.83 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.572 -0.899 . . . . 1.17 108.572 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 -37.46 82.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.742 -1.224 . . . . 1.39 109.117 178.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.612 ' NH1' ' N7 ' ' B' ' 8' ' ' ' DG' . 8.1 tpm_? -72.18 -43.14 65.01 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 4.74 110.627 -179.115 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.26 -46.33 3.07 Favored Glycine 0 N--CA 1.498 2.771 0 O-C-N 121.004 -1.06 . . . . 0.8 111.163 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -59.95 -44.15 94.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.234 -1.156 . . . . 1.57 109.557 -178.734 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.594 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 5.9 ttp180 -59.87 -49.71 76.62 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.539 -1.35 . . . . 2.34 108.845 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.534 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 63.8 t80 -72.7 -9.51 58.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.78 -1.2 . . . . 1.39 109.962 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 57.6 t80 -69.25 7.03 0.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.02 -1.05 . . . . 1.27 112.44 -177.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 84' ' ' ARG . 36.8 m-85 -62.11 98.06 0.1 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 117.611 -1.636 . . . . 1.65 107.49 179.484 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -87.24 -77.62 0.33 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.764 -1.21 . . . . 2.74 110.399 -178.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' NZ ' ' OP1' ' C' ' 22' ' ' ' DA' . 30.1 mttp -126.91 -66.52 0.9 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.479 -0.763 . . . . 2.52 109.052 -179.52 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 49.7 p-10 -154.42 84.92 1.12 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.468 -0.77 . . . . 2.8 109.113 179.221 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.83 HG23 ' H ' ' A' ' 92' ' ' ILE . 1.3 tp -139.39 -100.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 1.28 111.335 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.83 ' H ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -93.59 121.78 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.54 -1.35 . . . . 1.09 109.372 -178.466 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.555 ' N ' HD13 ' A' ' 92' ' ' ILE . 15.8 m-70 -112.49 151.63 29.71 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.714 0.769 . . . . 1.79 109.951 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -75.88 140.22 42.07 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.324 0.583 . . . . 2.83 109.913 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.3 m -88.87 130.57 35.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.039 -1.038 . . . . 1.24 108.762 179.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.5 17.41 0.39 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -0.897 . . . . 2.47 110.938 -178.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 95' ' ' THR . . . -83.0 -96.28 0.55 Allowed Glycine 0 N--CA 1.5 2.915 0 N-CA-C 109.771 -1.332 . . . . 2.32 109.771 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.678 ' H ' HG21 ' A' ' 101' ' ' VAL . 66.4 mmtt -105.11 -177.64 3.42 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.393 -1.063 . . . . 3.6 108.855 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.74 -12.5 58.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 5.66 110.903 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -105.08 4.74 31.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.044 -1.035 . . . . 1.27 111.004 -178.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.678 HG21 ' H ' ' A' ' 98' ' ' LYS . 2.6 m -94.87 119.71 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 120.891 -1.13 . . . . 1.14 111.704 -178.287 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CD1' HD23 ' A' ' 55' ' ' LEU . 11.7 m-85 -109.37 158.0 18.35 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.629 -0.878 . . . . 1.23 108.629 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -154.25 157.71 39.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 2.9 109.782 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 35' ' ' LEU . 67.3 m-85 -125.07 147.77 48.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.685 -0.634 . . . . 1.16 109.809 -178.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.914 -1.041 . . . . 1.98 109.771 -178.687 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.555 H2'' " O5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.841 3.801 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.555 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.244 3.055 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.977 3.971 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C1'-N19 110.251 3.064 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 1 O4'-C1'-N19 111.688 4.86 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.599 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.223 3.029 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.599 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.695 1 O4'-C1'-N19 111.97 5.213 . . . . 1.38 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.576 " O5'" H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.752 0 O4'-C1'-N19 110.901 3.876 . . . . 1.16 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.493 ' O6 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.295 4.368 . . . . 1.13 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.643 ' N6 ' HH12 ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.722 4.902 . . . . 1.03 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.411 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.538 4.672 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.411 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 112.185 5.482 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 1 O4'-C1'-N19 111.368 4.46 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 111.031 4.038 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C3'-C2'-C1' 107.001 3.072 . . . . 1.04 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.19 4.238 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 1 O4'-C1'-N19 111.299 4.374 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.787 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 110.861 3.826 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.608 0 O4'-C1'-N19 110.816 3.77 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.595 4.743 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.487 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.778 4.972 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.487 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.596 0 O4'-C1'-N19 110.588 3.485 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 112.159 5.449 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.51 H5'' ' HZ1' ' A' ' 69' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.256 0 O4'-C1'-N19 110.495 3.369 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.435 ' O4 ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.905 5.131 . . . . 0.92 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.489 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.004 1 O4'-C1'-N19 111.607 4.759 . . . . 1.02 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.508 H2'' " O5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.317 3.146 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.534 ' N2 ' ' C6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.332 4.415 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 1 O4'-C1'-N19 111.836 5.045 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.49 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.237 0 O4'-C1'-N19 110.775 3.719 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.49 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.296 4.37 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.454 " O5'" ' H6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-N19 110.272 3.091 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.486 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.912 1 O4'-C1'-N19 111.291 4.364 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.486 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.026 4.033 . . . . 1.79 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.251 0.548 . . . . 3.34 109.532 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.596 ' C ' ' H ' ' A' ' 13' ' ' ALA . 1.1 pp -142.76 61.5 11.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.24 -0.913 . . . . 3.52 108.735 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.91 29.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.716 1.61 . . . . 3.56 111.257 -178.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.596 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -103.77 -169.64 1.67 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 2.93 110.791 -179.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -10.48 25.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.778 -0.576 . . . . 3.29 109.604 179.362 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.71 -11.58 59.89 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.607 -1.257 . . . . 2.93 107.607 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.3 tt -84.76 -66.7 0.86 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.592 -1.262 . . . . 3.23 107.592 178.63 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.13 -66.34 0.88 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.303 -0.999 . . . . 3.32 108.303 178.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.81 27.03 73.14 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.729 -0.948 . . . . 3.34 110.729 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE1' HD12 ' A' ' 25' ' ' ILE . 34.1 p90 -74.18 133.73 42.75 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.977 -1.308 . . . . 3.66 109.561 179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.528 ' C ' ' H ' ' A' ' 22' ' ' SER . 73.4 p -94.64 -158.12 0.61 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.258 -0.901 . . . . 4.79 110.078 -179.553 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.73 8.22 0.14 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.508 -1.037 . . . . 5.2 110.508 -179.359 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 20' ' ' THR . 39.3 m -98.32 131.33 44.71 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.073 -1.251 . . . . 4.83 108.069 179.038 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.64 64.15 4.33 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.358 -1.497 . . . . 3.71 109.358 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -57.87 121.97 10.93 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 120.758 0.972 . . . . 3.25 109.897 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.409 HD12 ' CE1' ' A' ' 19' ' ' TYR . 81.6 mt -77.38 152.52 5.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.232 -0.917 . . . . 2.8 109.204 179.392 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 27' ' ' LEU . 13.2 tm0? -84.7 154.85 22.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.9 . . . . 1.66 109.276 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.7 tt -45.6 -64.29 0.77 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.938 -1.101 . . . . 1.54 111.851 -178.333 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 65.3 p-90 -67.21 -32.57 73.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.645 -1.284 . . . . 1.16 109.752 -177.861 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.02 -40.16 88.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 2.34 107.955 179.42 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -61.29 -50.59 72.39 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.015 -0.735 . . . . 0.86 109.015 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.83 -40.92 97.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.895 -1.128 . . . . 1.52 108.133 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -62.37 -47.24 85.04 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.608 -0.886 . . . . 1.91 108.608 179.634 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 42.6 tt0 -58.72 -40.7 84.5 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.343 -0.943 . . . . 2.46 109.614 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -23.27 60.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.926 -1.109 . . . . 1.54 110.297 -179.169 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.609 ' CD2' ' CE1' ' A' ' 53' ' ' PHE . 23.8 mt -64.65 -42.06 95.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.744 -1.222 . . . . 1.45 110.779 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -108.3 52.45 0.71 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.096 -1.003 . . . . 1.68 110.916 -178.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 92.1 m-20 -128.5 -80.16 0.58 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.21 -0.931 . . . . 3.08 110.166 179.551 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -169.13 1.21 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.163 -0.961 . . . . 3.33 109.825 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -74.12 -131.6 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.662 -1.236 . . . . 2.66 107.662 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 41' ' ' GLN . 27.7 p -174.62 -44.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 2.22 109.567 179.53 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 94.5 mt-30 -56.33 -10.94 1.02 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.801 -0.562 . . . . 3.09 111.092 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.408 ' OG ' ' CE2' ' A' ' 43' ' ' PHE . 80.4 p -75.33 -45.51 39.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.083 . . . . 2.41 111.856 -178.524 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CE2' ' OG ' ' A' ' 42' ' ' SER . 4.9 m-85 -131.97 7.83 4.38 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.801 -1.187 . . . . 1.56 110.064 -178.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.51 HG12 ' H ' ' A' ' 45' ' ' SER . 14.4 tt -164.02 -173.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.943 -1.098 . . . . 1.14 109.021 -178.298 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.51 ' H ' HG12 ' A' ' 44' ' ' ILE . 55.9 p -135.19 125.09 25.6 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.161 -1.051 . . . . 1.71 108.161 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -167.45 1.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.512 0.672 . . . . 1.46 109.75 -178.182 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.562 ' CG2' ' H ' ' A' ' 52' ' ' GLU . 1.3 m -96.29 159.24 15.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 2.04 108.664 179.619 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.44 -28.9 5.86 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 110.204 -1.159 . . . . 1.95 110.204 -179.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 21.7 p-10 -138.1 -45.19 0.52 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.117 -1.225 . . . . 3.56 111.767 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.1 -120.47 0.83 Allowed Glycine 0 N--CA 1.488 2.15 0 O-C-N 120.836 -1.165 . . . . 1.32 110.423 -178.057 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 70.7 t-105 -159.47 50.25 0.33 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.508 -0.995 . . . . 1.06 109.365 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.562 ' H ' ' CG2' ' A' ' 47' ' ' THR . 41.5 tt0 -99.54 118.21 35.62 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.359 -0.978 . . . . 2.5 108.359 179.542 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 67.9 t80 -99.54 120.47 39.71 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.973 -0.751 . . . . 0.82 108.973 -178.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -112.94 130.26 56.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.458 -0.776 . . . . 2.34 110.813 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.6 mp -91.69 99.77 12.61 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 120.953 0.406 . . . . 1.3 110.562 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 57' ' ' ASP . 49.1 p -78.66 -59.57 2.73 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.101 -0.999 . . . . 1.6 109.533 178.721 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' ' OG ' ' A' ' 56' ' ' SER . 65.0 t0 -148.64 76.18 9.95 Favored Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 121.235 -0.916 . . . . 2.54 110.522 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -67.53 57.37 0.69 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.434 1.423 . . . . 1.09 109.467 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 57' ' ' ASP . 46.9 t0 -68.56 -35.53 77.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.881 -1.137 . . . . 2.89 110.121 -179.315 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.16 -35.45 16.23 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.133 -0.979 . . . . 3.15 110.102 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.25 -42.22 84.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.084 -1.01 . . . . 0.8 109.186 179.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.53 85.57 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.352 -0.842 . . . . 0.84 109.628 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.38 -43.16 98.41 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.04 -1.037 . . . . 3.69 108.768 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -60.45 -44.18 96.09 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.605 -0.685 . . . . 3.46 110.912 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.435 ' HE1' ' NZ ' ' A' ' 78' ' ' LYS . 21.8 t-105 -56.84 -37.22 70.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.2 -0.938 . . . . 1.08 109.062 -178.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.14 -30.35 46.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.152 -1.179 . . . . 1.09 110.152 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -66.52 -35.91 81.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.801 -1.411 . . . . 2.71 110.309 -179.563 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -54.69 -31.79 58.44 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.963 -1.085 . . . . 3.88 109.532 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.51 ' HZ1' H5'' ' C' ' 24' ' ' ' DT' . 68.4 mttm -98.95 12.07 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 2.56 109.329 -179.288 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 67.44 32.19 5.9 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.344 0.592 . . . . 3.49 109.834 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -140.26 72.41 32.42 Favored Pre-proline 0 N--CA 1.5 2.027 0 N-CA-C 108.91 -0.774 . . . . 2.35 108.91 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -60.39 -7.24 6.54 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.072 1.848 . . . . 2.96 111.3 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -93.83 12.48 25.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.925 -1.11 . . . . 5.24 109.5 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.7 tpt -73.12 118.22 15.81 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 119.379 -0.929 . . . . 2.41 108.495 179.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -71.23 168.02 18.16 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.476 -0.765 . . . . 1.48 111.022 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.63 -18.81 63.62 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.772 -0.825 . . . . 1.07 108.772 179.089 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -30.38 69.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.183 -0.948 . . . . 2.53 109.383 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HE1' ' A' ' 65' ' ' TRP . 7.7 tmtt? -59.4 -36.22 75.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.229 -0.919 . . . . 4.23 108.631 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 83' ' ' LEU . 14.2 mt -66.45 -41.06 89.67 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.506 -0.924 . . . . 1.17 108.506 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 58.7 m -61.08 -42.68 98.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.828 -1.17 . . . . 1.39 109.168 179.462 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.699 ' NE ' HH22 ' A' ' 84' ' ' ARG . 0.0 OUTLIER -63.96 -42.72 97.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 4.74 110.197 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.12 -45.1 3.93 Favored Glycine 0 N--CA 1.497 2.712 0 C-N-CA 119.908 -1.139 . . . . 0.8 111.108 -178.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.69 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.5 tm? -58.6 -40.14 82.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.804 -1.41 . . . . 1.57 108.49 -179.152 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.699 HH22 ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.48 -39.69 85.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.451 -1.405 . . . . 2.34 109.873 179.552 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -71.98 -13.4 61.61 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.243 -1.536 . . . . 1.39 108.705 179.095 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.38 10.11 0.88 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.745 -0.597 . . . . 1.27 112.338 -177.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 84' ' ' ARG . 30.8 m-85 -84.12 21.46 1.37 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.059 -1.65 . . . . 1.65 109.312 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -72.71 -36.2 67.77 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.538 -0.912 . . . . 2.74 108.538 179.135 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -106.46 137.71 43.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.965 -1.124 . . . . 2.52 107.965 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -77.43 88.09 3.8 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.759 -1.2 . . . . 2.8 107.759 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.591 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -136.03 -49.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 115.225 -0.898 . . . . 1.28 109.023 -178.39 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.683 HD12 ' CE2' ' A' ' 104' ' ' PHE . 5.2 tt -132.4 140.38 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.114 -0.991 . . . . 1.09 110.277 -179.626 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -130.79 167.74 18.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.802 -0.561 . . . . 1.79 109.562 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -98.58 147.96 24.27 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.182 -0.949 . . . . 2.83 110.316 -179.038 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 97' ' ' GLY . 56.5 m -89.82 136.27 33.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.948 -1.095 . . . . 1.24 109.242 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.61 6.63 0.79 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 2.47 110.617 -179.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 95' ' ' THR . . . -75.96 -100.14 0.13 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.318 -1.513 . . . . 2.32 109.318 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 24.9 mtpp -105.12 172.2 6.91 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.236 -1.155 . . . . 3.6 109.18 -179.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -78.95 -5.01 52.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.913 -1.117 . . . . 5.66 109.177 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.88 -4.47 24.76 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.278 -0.889 . . . . 1.27 111.123 -178.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.461 ' CG2' ' H ' ' A' ' 98' ' ' LYS . 3.4 m -94.06 123.29 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.936 -1.102 . . . . 1.14 110.352 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -118.12 156.18 29.12 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.39 0.614 . . . . 1.23 109.748 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -147.93 148.57 30.94 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.091 -1.077 . . . . 2.9 108.091 178.271 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.683 ' CE2' HD12 ' A' ' 92' ' ' ILE . 24.0 m-85 -117.12 133.44 55.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.902 -0.777 . . . . 1.16 108.902 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.823 -1.084 . . . . 1.98 109.869 -178.872 . . . . . . . . 0 0 . 1 stop_ save_