data_1kzv_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 1kzv _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.541 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 10.9 tpt180 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.152 0.501 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.8 mt -51.18 -22.39 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.287 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.467 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 45.5 m0 -72.08 -35.78 69.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.573 -0.704 . . . . 0.0 109.878 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.541 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 53.2 mt -71.16 -32.91 69.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.809 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -60.8 -31.29 70.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.882 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -59.82 -31.8 70.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.89 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.99 -31.5 71.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 110.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.529 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -51.0 -34.98 31.88 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 98.1 mm-40 -62.07 -27.09 68.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.306 -1.114 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.16 -39.65 93.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.879 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.529 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 16.4 tt -63.84 -17.86 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 69.6 t80 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 110.189 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.573 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 7.7 tpt180 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.126 0.488 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.5 tt -50.9 -22.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 109.389 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -69.16 -37.6 78.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.712 . . . . 0.0 109.711 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.573 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 84.0 mt -68.32 -29.62 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.196 -0.94 . . . . 0.0 109.818 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -63.27 -37.38 87.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 0.0 109.946 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.77 -32.38 71.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 ' HA ' ' ND1' ' A' ' 45' ' ' HIS . 27.0 tp -65.14 -31.72 73.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 110.199 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.72 92.07 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.18 -33.67 73.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -1.111 . . . . 0.0 110.088 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.404 ' ND1' ' HA ' ' A' ' 42' ' ' LEU . 78.8 m80 -59.29 -38.59 80.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.589 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -61.38 -37.38 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.444 -0.785 . . . . 0.0 109.632 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.696 -0.628 . . . . 0.0 110.262 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.476 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 10.0 tpt180 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.195 0.521 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.3 mm -51.11 -23.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.114 -0.991 . . . . 0.0 109.205 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -70.9 -35.25 72.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.434 -0.791 . . . . 0.0 109.474 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 42' ' ' LEU . 23.1 tp -66.8 -33.1 74.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.49 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.13 -38.12 85.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.475 -0.766 . . . . 0.0 109.522 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.46 -34.55 72.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.468 -0.77 . . . . 0.0 109.696 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.511 HD12 ' CD1' ' A' ' 39' ' ' LEU . 55.6 mt -57.42 -37.52 72.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.548 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.9 -24.93 21.81 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -56.11 -34.17 65.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.465 -1.02 . . . . 0.0 109.452 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.484 ' CD2' ' HA ' ' A' ' 42' ' ' LEU . 92.7 m-70 -59.51 -35.1 73.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 109.8 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.82 -41.04 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.977 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 0.0 109.919 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.515 ' NE ' ' CD2' ' A' ' 39' ' ' LEU . 11.4 tpt180 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 121.227 0.537 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.6 mt -51.01 -23.76 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.173 -0.954 . . . . 0.0 109.242 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -70.34 -33.66 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.497 -0.752 . . . . 0.0 109.518 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.515 ' CD2' ' NE ' ' A' ' 36' ' ' ARG . 27.6 tp -68.77 -34.66 75.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.74 -41.07 99.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.471 -0.768 . . . . 0.0 109.67 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.38 -32.15 73.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.418 -0.801 . . . . 0.0 109.768 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.85 -33.44 75.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.425 -0.797 . . . . 0.0 109.769 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.53 -34.68 69.92 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.57 -34.81 74.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -1.048 . . . . 0.0 109.794 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -58.9 -39.58 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.0 109.385 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 HG23 HD11 ' A' ' 46' ' ' ILE . 86.8 mt -60.71 -36.86 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.372 -0.83 . . . . 0.0 109.503 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.506 -0.746 . . . . 0.0 109.935 179.782 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.479 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 10.3 tpt85 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.219 0.533 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.1 tt -48.9 -23.65 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.933 -1.105 . . . . 0.0 109.264 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -63.76 -37.54 87.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.558 -0.714 . . . . 0.0 109.898 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD22 ' NE ' ' A' ' 36' ' ' ARG . 25.7 tp -66.51 -28.3 68.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.191 -0.943 . . . . 0.0 109.867 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.15 -31.15 71.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.408 -0.808 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -60.66 -38.26 84.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.377 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.24 -34.58 77.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.533 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.517 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -57.6 -34.07 68.74 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 92.9 mt-30 -61.35 -26.75 68.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -1.123 . . . . 0.0 110.34 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.77 -39.65 92.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.116 -0.99 . . . . 0.0 109.803 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 6.8 tp -63.19 -19.17 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.996 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.448 ' N ' HG22 ' A' ' 46' ' ' ILE . 68.0 t80 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 110.115 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.501 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 5.5 tpt180 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.199 0.523 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.8 pt -51.08 -22.52 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -73.14 -35.87 66.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.501 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 46.3 mt -69.46 -33.81 73.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.93 . . . . 0.0 109.536 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -61.6 -33.24 73.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.653 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.47 -33.94 75.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.541 -0.725 . . . . 0.0 109.69 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.44 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 109.944 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.78 38.85 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.04 -34.46 73.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.271 -1.135 . . . . 0.0 109.976 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -58.7 -38.4 78.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.526 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 99.6 mt -61.57 -35.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.376 -0.828 . . . . 0.0 109.585 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.545 -0.722 . . . . 0.0 110.169 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.52 ' CD ' ' HB3' ' A' ' 39' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.293 0.568 . . . . 0.0 110.349 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 99.0 mt -51.0 -26.48 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.077 -1.014 . . . . 0.0 109.221 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -69.38 -30.94 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.494 -0.754 . . . . 0.0 109.37 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.52 ' HB3' ' CD ' ' A' ' 36' ' ' ARG . 20.3 tp -70.03 -29.71 66.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.346 -0.846 . . . . 0.0 109.304 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -68.1 -37.12 80.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.569 -0.707 . . . . 0.0 109.949 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -67.4 -36.76 81.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.9 -36.52 83.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.83 -34.1 60.83 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -62.62 -32.72 73.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.259 -1.142 . . . . 0.0 110.151 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.96 -40.49 95.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.948 . . . . 0.0 109.912 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.66 -35.9 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 109.953 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 12.0 m-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.212 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.521 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 8.9 tpt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.065 0.46 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.4 pt -49.29 -24.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 108.862 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -64.06 -39.09 93.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.549 -0.719 . . . . 0.0 109.527 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.521 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 88.7 mt -70.35 -30.14 67.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.95 -35.72 81.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.378 -0.826 . . . . 0.0 109.873 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.2 -39.48 63.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 109.74 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.15 -34.65 72.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 0.0 109.825 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.09 -29.45 68.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -58.8 -35.73 73.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.153 . . . . 0.0 109.8 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -59.69 -38.44 81.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.27 -0.894 . . . . 0.0 109.535 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.09 -34.23 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.459 -0.776 . . . . 0.0 109.74 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.8 t80 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.399 -0.813 . . . . 0.0 109.983 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.523 ' NE ' ' CD2' ' A' ' 39' ' ' LEU . 10.4 tpt180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.285 0.565 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.86 -23.75 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 108.946 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -69.19 -36.3 77.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 109.315 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.523 ' CD2' ' NE ' ' A' ' 36' ' ' ARG . 26.7 tp -65.14 -29.86 70.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.313 -0.867 . . . . 0.0 109.427 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.54 -33.21 74.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.745 . . . . 0.0 109.708 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.1 -33.31 75.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 39' ' ' LEU . 44.1 mt -55.78 -37.31 68.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 0.0 109.924 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.56 -38.23 62.8 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.38 -29.05 67.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.379 -1.071 . . . . 0.0 109.977 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -60.99 -38.86 87.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.206 -0.934 . . . . 0.0 109.807 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.3 mm -63.17 -40.77 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.367 -0.833 . . . . 0.0 109.731 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.499 -0.751 . . . . 0.0 109.821 179.64 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.542 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 6.0 tpt180 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.109 0.48 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.5 mt -50.84 -22.44 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 109.052 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -71.15 -36.35 72.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.557 -0.714 . . . . 0.0 109.774 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 47.0 mt -69.73 -29.12 66.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.252 -0.905 . . . . 0.0 109.873 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -67.42 -34.6 77.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.979 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.2 -34.19 74.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.835 . . . . 0.0 109.846 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.41 -33.18 74.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.866 . . . . 0.0 110.001 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -26.31 57.42 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.03 -37.38 84.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -1.129 . . . . 0.0 110.178 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -57.37 -36.51 71.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.662 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.34 -33.81 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.833 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.461 -0.774 . . . . 0.0 110.32 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 12.0 tpp85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.194 0.521 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 37' ' ' ILE . 88.9 mt -48.06 -25.16 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.821 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 47.1 m0 -66.04 -34.41 78.01 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.537 -0.727 . . . . 0.0 109.138 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' ARG . 25.8 tp -67.13 -30.8 70.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.864 . . . . 0.0 109.212 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -70.29 -29.36 66.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.549 -0.72 . . . . 0.0 109.525 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -62.64 -31.99 72.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.459 -0.776 . . . . 0.0 110.049 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 38' ' ' TRP . 6.7 mp -68.79 -34.13 75.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 0.0 110.103 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.3 -33.07 73.89 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.23 -30.92 69.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -1.036 . . . . 0.0 109.957 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.31 -40.32 85.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.212 -0.93 . . . . 0.0 109.533 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.49 HD11 HG22 ' A' ' 46' ' ' ILE . 90.0 mt -59.1 -38.45 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.384 -0.823 . . . . 0.0 109.52 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.608 -0.682 . . . . 0.0 109.758 179.597 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' HD2' ' HB3' ' A' ' 39' ' ' LEU . 13.1 tpt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.151 0.5 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.1 mm -54.44 -20.17 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 109.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -75.98 -33.11 59.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.998 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' HB3' ' HD2' ' A' ' 36' ' ' ARG . 23.5 tp -72.52 -31.92 65.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.721 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.81 -36.37 78.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.822 . . . . 0.0 110.039 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -58.86 -34.94 72.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.81 -34.06 76.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -59.92 -31.19 71.49 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.45 -27.77 68.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -1.126 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.78 -39.21 93.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.972 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 16.8 tt -65.14 -19.4 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 109.934 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.505 ' N ' HG22 ' A' ' 46' ' ' ILE . 69.6 t80 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.353 -0.842 . . . . 0.0 110.038 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.5 ' NE ' ' CD2' ' A' ' 39' ' ' LEU . 9.6 tpt180 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.202 0.525 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.3 mt -49.95 -25.38 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.206 -0.934 . . . . 0.0 108.812 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -67.71 -37.37 82.15 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.349 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.5 ' CD2' ' NE ' ' A' ' 36' ' ' ARG . 32.0 tp -63.93 -34.02 77.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.458 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.4 -35.56 80.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.567 -0.708 . . . . 0.0 109.622 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -61.72 -34.73 76.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.455 -0.778 . . . . 0.0 109.736 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -58.33 -35.64 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 109.772 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.427 ' O ' ' CD2' ' A' ' 47' ' ' TYR . . . -55.01 -26.79 43.0 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.06 -34.27 68.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -1.103 . . . . 0.0 109.739 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -61.05 -35.61 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.401 -0.812 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.14 -40.26 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.228 -0.92 . . . . 0.0 110.136 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 43' ' ' GLY . 80.1 m-85 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.433 -0.792 . . . . 0.0 110.16 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 7.6 tpp180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.158 0.504 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.5 mt -49.6 -23.49 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.113 -0.992 . . . . 0.0 109.058 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.418 ' HA ' ' OD1' ' A' ' 41' ' ' ASN . 75.0 t90 -70.94 -32.53 69.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.527 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' HB3' ' HD3' ' A' ' 36' ' ' ARG . 13.1 tp -71.55 -29.1 64.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.328 -0.858 . . . . 0.0 109.517 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.85 -29.71 65.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 109.695 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 26.9 m120 -61.78 -36.9 82.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.82 . . . . 0.0 110.054 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.8 tp -60.02 -36.75 77.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 110.047 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.527 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -62.28 -26.44 67.83 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 93.4 mt-30 -65.0 -28.38 69.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -1.12 . . . . 0.0 110.09 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -60.71 -37.05 80.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.911 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.527 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 16.0 tt -65.59 -22.17 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.248 -0.907 . . . . 0.0 109.791 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.495 ' N ' HG22 ' A' ' 46' ' ' ILE . 73.5 t80 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 0.0 109.995 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.523 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 7.5 tpt180 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.093 0.473 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.36 -21.21 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.69 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -72.73 -35.73 67.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 0.0 109.905 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.523 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 38.7 mt -69.21 -30.34 68.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.75 -38.28 87.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.379 -0.825 . . . . 0.0 109.968 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.36 -40.9 83.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.381 -0.824 . . . . 0.0 109.903 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -65.38 -33.29 75.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.974 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.43 -33.76 82.53 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.97 -35.94 78.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.242 -1.152 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.62 -38.23 90.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.265 -0.897 . . . . 0.0 109.98 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.5 mt -67.03 -31.73 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.0 110.002 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 t80 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.403 -0.811 . . . . 0.0 110.406 -179.859 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.558 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 2.8 tpt180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.257 0.551 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.3 mt -51.19 -22.34 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.145 -0.972 . . . . 0.0 109.135 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -70.41 -36.48 74.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 0.0 109.623 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.558 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 42.9 mt -68.26 -31.18 70.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -61.71 -35.88 79.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.02 -32.18 70.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.0 109.9 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' HA ' ' CD2' ' A' ' 45' ' ' HIS . 14.2 tp -62.24 -33.93 75.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.416 -0.802 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.9 45.09 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.83 -32.26 69.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -1.096 . . . . 0.0 109.845 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' A' ' 42' ' ' LEU . 86.4 m-70 -58.08 -36.24 72.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 109.582 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.87 -38.6 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.327 -0.858 . . . . 0.0 109.639 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.611 -0.681 . . . . 0.0 109.78 179.656 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.522 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 8.6 tpt180 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.243 0.544 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.539 HG23 ' CD1' ' A' ' 38' ' ' TRP . 17.1 tt -50.31 -23.27 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 109.232 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.539 ' CD1' HG23 ' A' ' 37' ' ' ILE . 47.1 m0 -65.93 -36.19 82.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.475 -0.766 . . . . 0.0 109.714 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.522 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 45.9 mt -68.5 -28.92 67.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.156 -0.965 . . . . 0.0 109.917 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -62.31 -34.1 75.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -54.91 -36.21 64.97 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 110.179 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.58 -33.05 72.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -0.869 . . . . 0.0 110.105 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.2 -30.42 57.86 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -61.75 -38.2 87.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -60.98 -37.53 82.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.256 -0.903 . . . . 0.0 109.918 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.2 mt -65.17 -33.82 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.829 . . . . 0.0 109.936 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.48 -0.763 . . . . 0.0 110.479 -179.839 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 39' ' ' LEU . 22.5 tpt85 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.176 0.513 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.7 mt -52.78 -20.28 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.07 -1.019 . . . . 0.0 109.526 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -74.43 -31.99 62.49 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.377 -0.827 . . . . 0.0 110.092 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 63.5 mt -72.92 -28.53 62.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -32.38 73.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.799 . . . . 0.0 110.128 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -55.94 -32.51 63.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.32 -0.863 . . . . 0.0 110.033 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 7.0 mp -69.51 -30.27 68.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.359 -0.838 . . . . 0.0 110.232 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.98 -19.37 37.29 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.38 -32.82 74.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -1.111 . . . . 0.0 110.161 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -57.14 -32.95 66.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 0.0 109.778 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.5 -34.23 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.072 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 t80 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.432 -0.793 . . . . 0.0 110.405 -179.798 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 28.3 tpt85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.336 0.588 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.7 mt -49.2 -23.47 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.017 -1.052 . . . . 0.0 109.018 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -69.68 -36.62 76.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.48 -0.762 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.534 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 51.9 mt -65.9 -29.69 70.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.79 -34.55 73.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.43 -0.794 . . . . 0.0 109.551 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.28 -32.3 72.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.94 -33.63 72.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.763 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.96 -24.2 49.2 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.84 -35.04 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.365 -1.08 . . . . 0.0 109.983 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -57.46 -36.83 71.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.176 -0.952 . . . . 0.0 109.594 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.93 -34.97 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.385 -0.822 . . . . 0.0 109.663 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.481 -0.762 . . . . 0.0 110.221 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.499 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 11.6 tpt180 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.149 0.5 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.4 mm -52.16 -21.57 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.165 -0.959 . . . . 0.0 109.329 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -71.49 -36.96 71.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.436 -0.79 . . . . 0.0 109.607 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.499 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 34.2 mt -66.19 -30.05 70.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.875 . . . . 0.0 109.607 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -64.35 -33.83 76.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.466 -0.771 . . . . 0.0 109.669 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.463 ' OD1' ' OE1' ' A' ' 44' ' ' GLN . 54.5 t30 -62.2 -31.17 71.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.855 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.81 -34.49 71.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.446 -0.784 . . . . 0.0 110.024 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.67 -34.9 61.17 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.463 ' OE1' ' OD1' ' A' ' 41' ' ' ASN . 94.8 mt-30 -62.33 -30.89 71.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.338 -1.096 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.63 -39.44 84.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.938 . . . . 0.0 109.619 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 HD12 HG21 ' A' ' 46' ' ' ILE . 85.4 mt -61.96 -37.03 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.439 -0.788 . . . . 0.0 109.547 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.544 -0.722 . . . . 0.0 109.928 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.759 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.83 141.96 95.21 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -59.0 -15.3 26.91 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 O-C-N 123.937 1.493 . . . . 0.0 110.026 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.541 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 10.9 tpt180 -62.45 -26.23 68.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.329 -0.857 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.8 mt -51.18 -22.39 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.287 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.467 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 45.5 m0 -72.08 -35.78 69.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.573 -0.704 . . . . 0.0 109.878 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.541 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 53.2 mt -71.16 -32.91 69.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.809 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -60.8 -31.29 70.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.882 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -59.82 -31.8 70.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.89 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.99 -31.5 71.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 110.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.529 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -51.0 -34.98 31.88 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 98.1 mm-40 -62.07 -27.09 68.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.306 -1.114 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.16 -39.65 93.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.879 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.57 ' O ' ' CE2' ' A' ' 50' ' ' TYR . 16.4 tt -63.84 -17.86 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 69.6 t80 -67.18 -28.97 68.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 110.189 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.01 -28.81 64.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.356 -0.84 . . . . 0.0 110.675 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 46' ' ' ILE . 58.4 p -65.8 -33.55 76.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.208 -0.932 . . . . 0.0 110.391 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.57 ' CE2' ' O ' ' A' ' 46' ' ' ILE . 97.4 m-85 -66.07 -32.45 73.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.256 -0.902 . . . . 0.0 110.283 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.19 -88.64 0.07 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.9 -1.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 20.9 p90 -65.54 143.31 98.62 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.257 -0.902 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.43 ' HB2' HG22 ' A' ' 37' ' ' ILE . 46.2 Cg_endo -53.18 147.31 35.64 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 O-C-N 123.942 1.496 . . . . 0.0 110.292 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.573 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 7.7 tpt180 -59.46 -28.05 66.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.97 . . . . 0.0 110.287 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.43 HG22 ' HB2' ' A' ' 35' ' ' PRO . 18.5 tt -50.9 -22.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 109.389 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -69.16 -37.6 78.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.712 . . . . 0.0 109.711 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.573 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 84.0 mt -68.32 -29.62 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.196 -0.94 . . . . 0.0 109.818 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -63.27 -37.38 87.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 0.0 109.946 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.77 -32.38 71.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 ' HA ' ' ND1' ' A' ' 45' ' ' HIS . 27.0 tp -65.14 -31.72 73.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 110.199 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.72 92.07 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.18 -33.67 73.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -1.111 . . . . 0.0 110.088 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.404 ' ND1' ' HA ' ' A' ' 42' ' ' LEU . 78.8 m80 -59.29 -38.59 80.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.589 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -61.38 -37.38 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.444 -0.785 . . . . 0.0 109.632 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.579 ' CZ ' ' OH ' ' A' ' 50' ' ' TYR . 65.0 t80 -63.26 -31.84 73.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.696 -0.628 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -80.0 -9.61 59.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 110.517 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.2 m -71.18 -44.28 65.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.909 . . . . 0.0 110.485 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.579 ' OH ' ' CZ ' ' A' ' 47' ' ' TYR . 4.2 p90 -80.66 -17.45 51.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 0.0 110.422 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.37 98.78 0.86 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.879 -1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -66.54 140.51 96.56 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -52.85 154.66 12.32 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 O-C-N 124.006 1.529 . . . . 0.0 110.143 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.476 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 10.0 tpt180 -65.48 -30.08 70.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.192 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.3 mm -51.11 -23.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.114 -0.991 . . . . 0.0 109.205 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -70.9 -35.25 72.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.434 -0.791 . . . . 0.0 109.474 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 42' ' ' LEU . 23.1 tp -66.8 -33.1 74.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.49 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.13 -38.12 85.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.475 -0.766 . . . . 0.0 109.522 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.46 -34.55 72.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.468 -0.77 . . . . 0.0 109.696 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.511 HD12 ' CD1' ' A' ' 39' ' ' LEU . 55.6 mt -57.42 -37.52 72.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.548 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.9 -24.93 21.81 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 63.7 tt0 -56.11 -34.17 65.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.465 -1.02 . . . . 0.0 109.452 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.484 ' CD2' ' HA ' ' A' ' 42' ' ' LEU . 92.7 m-70 -59.51 -35.1 73.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 109.8 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.82 -41.04 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.977 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -65.96 -30.66 71.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 0.0 109.919 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 99.2 mt-10 -67.91 -24.77 65.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.363 -0.836 . . . . 0.0 109.96 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.5 m -60.66 -35.3 75.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.395 -0.816 . . . . 0.0 109.946 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -65.93 -31.58 72.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 110.068 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.13 15.83 27.09 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.767 -2.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.753 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.98 140.2 98.03 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.293 -0.879 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -61.53 -14.1 33.35 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 124.016 1.535 . . . . 0.0 110.129 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.515 ' NE ' ' CD2' ' A' ' 39' ' ' LEU . 11.4 tpt180 -63.79 -28.91 70.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.207 -0.933 . . . . 0.0 110.243 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.6 mt -51.01 -23.76 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.173 -0.954 . . . . 0.0 109.242 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -70.34 -33.66 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.497 -0.752 . . . . 0.0 109.518 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.515 ' CD2' ' NE ' ' A' ' 36' ' ' ARG . 27.6 tp -68.77 -34.66 75.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.74 -41.07 99.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.471 -0.768 . . . . 0.0 109.67 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.38 -32.15 73.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.418 -0.801 . . . . 0.0 109.768 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.85 -33.44 75.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.425 -0.797 . . . . 0.0 109.769 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.53 -34.68 69.92 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.57 -34.81 74.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -1.048 . . . . 0.0 109.794 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -58.9 -39.58 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.0 109.385 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 HG23 HD11 ' A' ' 46' ' ' ILE . 86.8 mt -60.71 -36.86 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.372 -0.83 . . . . 0.0 109.503 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.52 -33.43 74.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.506 -0.746 . . . . 0.0 109.935 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -69.58 -26.33 64.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 109.885 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.1 m -60.41 -34.38 73.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.871 . . . . 0.0 110.05 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -67.29 -30.46 70.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.313 -0.867 . . . . 0.0 110.081 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.16 7.45 37.87 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.834 -1.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.56 ' H2 ' ' CG ' ' A' ' 38' ' ' TRP . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 4.1 m-85 -45.57 -59.56 4.38 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.36 -0.837 . . . . 0.0 110.541 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 45.5 Cg_endo -58.57 146.97 89.18 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 O-C-N 123.718 1.378 . . . . 0.0 110.285 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 10.3 tpt85 -65.04 -30.8 71.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.184 -0.947 . . . . 0.0 110.407 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.1 tt -48.9 -23.65 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.933 -1.105 . . . . 0.0 109.264 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CG ' ' H2 ' ' A' ' 33' ' ' ACE . 75.6 t-105 -63.76 -37.54 87.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.558 -0.714 . . . . 0.0 109.898 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD22 ' NE ' ' A' ' 36' ' ' ARG . 25.7 tp -66.51 -28.3 68.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.191 -0.943 . . . . 0.0 109.867 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.15 -31.15 71.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.408 -0.808 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -60.66 -38.26 84.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.377 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.24 -34.58 77.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.533 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.517 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -57.6 -34.07 68.74 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 92.9 mt-30 -61.35 -26.75 68.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -1.123 . . . . 0.0 110.34 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.77 -39.65 92.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.116 -0.99 . . . . 0.0 109.803 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 6.8 tp -63.19 -19.17 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.996 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' O ' ' CE2' ' A' ' 50' ' ' TYR . 68.0 t80 -69.68 -33.5 72.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 110.115 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -80.06 -13.51 59.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.276 -0.89 . . . . 0.0 110.587 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 m -72.86 -43.54 62.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.743 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 47' ' ' TYR . 4.2 p90 -80.0 -21.21 43.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.116 -0.99 . . . . 0.0 110.515 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.37 -159.71 23.71 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.792 -2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.486 ' O ' ' HB3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.813 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.545 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 3.0 t80 -46.52 -48.31 47.67 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.037 -1.039 . . . . 0.0 110.795 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 45.6 Cg_endo -67.73 -5.5 14.48 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 O-C-N 123.634 1.334 . . . . 0.0 110.871 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.501 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 5.5 tpt180 -66.18 -28.67 68.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.035 -1.041 . . . . 0.0 110.031 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.434 HG21 ' O ' ' A' ' 34' ' ' PHE . 27.8 pt -51.08 -22.52 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -73.14 -35.87 66.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.501 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 46.3 mt -69.46 -33.81 73.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.93 . . . . 0.0 109.536 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -61.6 -33.24 73.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.653 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.47 -33.94 75.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.541 -0.725 . . . . 0.0 109.69 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.44 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 109.944 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.78 38.85 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.04 -34.46 73.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.271 -1.135 . . . . 0.0 109.976 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -58.7 -38.4 78.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.526 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 99.6 mt -61.57 -35.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.376 -0.828 . . . . 0.0 109.585 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -61.27 -32.61 72.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.545 -0.722 . . . . 0.0 110.169 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.61 -26.83 63.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.0 110.047 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.1 m -62.14 -36.21 81.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.36 -0.837 . . . . 0.0 110.14 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -66.67 -31.23 71.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 0.0 110.179 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.25 -71.76 1.09 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.91 -1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.703 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' N ' HD13 ' A' ' 37' ' ' ILE . 3.3 m-85 -64.53 138.72 97.54 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.927 . . . . 0.0 110.185 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -58.29 -18.46 37.92 Favored 'Trans proline' 0 C--N 1.303 -1.834 0 O-C-N 124.046 1.551 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.52 ' CD ' ' HB3' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -66.15 -27.53 68.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.199 -0.938 . . . . 0.0 110.349 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 34' ' ' PHE . 99.0 mt -51.0 -26.48 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.077 -1.014 . . . . 0.0 109.221 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -69.38 -30.94 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.494 -0.754 . . . . 0.0 109.37 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.52 ' HB3' ' CD ' ' A' ' 36' ' ' ARG . 20.3 tp -70.03 -29.71 66.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.346 -0.846 . . . . 0.0 109.304 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -68.1 -37.12 80.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.569 -0.707 . . . . 0.0 109.949 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -67.4 -36.76 81.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.9 -36.52 83.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.83 -34.1 60.83 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.415 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 93.5 mt-30 -62.62 -32.72 73.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.259 -1.142 . . . . 0.0 110.151 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.96 -40.49 95.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.948 . . . . 0.0 109.912 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.479 ' O ' ' OG1' ' A' ' 49' ' ' THR . 89.5 mt -63.66 -35.9 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 109.953 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.573 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 12.0 m-30 -65.74 -29.04 69.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.212 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 72.9 mm-40 -66.15 -14.81 62.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.357 -0.839 . . . . 0.0 110.595 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 46' ' ' ILE . 76.4 p -73.83 -42.53 60.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.114 -0.991 . . . . 0.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 7.1 p90 -87.47 -10.93 50.47 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.199 -0.938 . . . . 0.0 110.385 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.3 111.9 3.79 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.816 -1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.764 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 37' ' ' ILE . 66.2 m-85 -65.74 145.59 99.03 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.883 . . . . 0.0 110.125 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -58.05 -17.49 31.59 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 123.936 1.493 . . . . 0.0 110.55 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.521 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 8.9 tpt180 -64.49 -31.02 72.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.17 -0.956 . . . . 0.0 110.379 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 34' ' ' PHE . 27.4 pt -49.29 -24.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 108.862 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -64.06 -39.09 93.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.549 -0.719 . . . . 0.0 109.527 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.521 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 88.7 mt -70.35 -30.14 67.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.95 -35.72 81.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.378 -0.826 . . . . 0.0 109.873 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.2 -39.48 63.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 109.74 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.15 -34.65 72.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 0.0 109.825 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.09 -29.45 68.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -58.8 -35.73 73.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.153 . . . . 0.0 109.8 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -59.69 -38.44 81.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.27 -0.894 . . . . 0.0 109.535 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.09 -34.23 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.459 -0.776 . . . . 0.0 109.74 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.545 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 61.8 t80 -58.79 -33.63 70.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.399 -0.813 . . . . 0.0 109.983 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -79.8 -10.78 59.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -0.791 . . . . 0.0 110.239 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.4 m -76.17 -43.88 40.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 110.448 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.545 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 2.8 p90 -77.45 -25.01 50.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 0.0 110.391 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.1 -168.67 41.6 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 119.853 -1.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.478 ' O ' ' HB3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.764 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.549 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 t80 -45.11 -47.59 31.85 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.095 -1.003 . . . . 0.0 110.589 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 47.6 Cg_endo -72.26 -7.6 21.24 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.828 1.436 . . . . 0.0 110.956 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.523 ' NE ' ' CD2' ' A' ' 39' ' ' LEU . 10.4 tpt180 -63.84 -33.47 75.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.934 -1.104 . . . . 0.0 110.017 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.86 -23.75 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 108.946 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -69.19 -36.3 77.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 109.315 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.523 ' CD2' ' NE ' ' A' ' 36' ' ' ARG . 26.7 tp -65.14 -29.86 70.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.313 -0.867 . . . . 0.0 109.427 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.54 -33.21 74.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.745 . . . . 0.0 109.708 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.1 -33.31 75.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 39' ' ' LEU . 44.1 mt -55.78 -37.31 68.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 0.0 109.924 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.56 -38.23 62.8 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.38 -29.05 67.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.379 -1.071 . . . . 0.0 109.977 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -60.99 -38.86 87.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.206 -0.934 . . . . 0.0 109.807 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.3 mm -63.17 -40.77 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.367 -0.833 . . . . 0.0 109.731 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -67.72 -29.67 68.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.499 -0.751 . . . . 0.0 109.821 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.25 -25.29 65.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.818 . . . . 0.0 110.199 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.1 m -59.33 -34.3 72.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.0 110.007 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -67.65 -29.95 69.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.371 -0.831 . . . . 0.0 110.091 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.25 -89.8 0.01 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.854 -1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.754 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.04 142.8 98.75 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.331 -0.856 . . . . 0.0 110.077 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -63.53 -16.95 57.76 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 O-C-N 123.993 1.523 . . . . 0.0 110.479 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.542 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 6.0 tpt180 -63.06 -30.33 71.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.134 -0.979 . . . . 0.0 110.227 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.5 mt -50.84 -22.44 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 109.052 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -71.15 -36.35 72.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.557 -0.714 . . . . 0.0 109.774 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 47.0 mt -69.73 -29.12 66.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.252 -0.905 . . . . 0.0 109.873 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -67.42 -34.6 77.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.979 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.2 -34.19 74.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.835 . . . . 0.0 109.846 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.41 -33.18 74.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.866 . . . . 0.0 110.001 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -26.31 57.42 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.03 -37.38 84.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -1.129 . . . . 0.0 110.178 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -57.37 -36.51 71.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.662 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.34 -33.81 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.833 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.51 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 68.4 t80 -59.69 -31.85 69.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.461 -0.774 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.81 -20.89 61.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -0.904 . . . . 0.0 110.054 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.3 m -59.33 -24.66 63.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.883 . . . . 0.0 109.977 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.585 ' CD1' ' N ' ' A' ' 51' ' ' GLY . 0.5 OUTLIER -64.72 -24.83 67.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.585 ' N ' ' CD1' ' A' ' 50' ' ' TYR . . . -57.89 -55.82 28.51 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.809 -1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.754 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -65.91 134.41 95.08 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.28 -0.888 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -59.93 -15.14 31.27 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 O-C-N 124.079 1.568 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 12.0 tpp85 -62.51 -33.06 74.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.137 -0.977 . . . . 0.0 109.992 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 37' ' ' ILE . 88.9 mt -48.06 -25.16 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.821 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 47.1 m0 -66.04 -34.41 78.01 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.537 -0.727 . . . . 0.0 109.138 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' ARG . 25.8 tp -67.13 -30.8 70.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.864 . . . . 0.0 109.212 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -70.29 -29.36 66.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.549 -0.72 . . . . 0.0 109.525 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -62.64 -31.99 72.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.459 -0.776 . . . . 0.0 110.049 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 38' ' ' TRP . 6.7 mp -68.79 -34.13 75.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 0.0 110.103 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.3 -33.07 73.89 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 92.8 mt-30 -60.23 -30.92 69.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -1.036 . . . . 0.0 109.957 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.31 -40.32 85.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.212 -0.93 . . . . 0.0 109.533 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.49 HD11 HG22 ' A' ' 46' ' ' ILE . 90.0 mt -59.1 -38.45 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.384 -0.823 . . . . 0.0 109.52 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.576 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 88.2 m-85 -70.08 -29.2 66.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.608 -0.682 . . . . 0.0 109.758 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 74.0 mm-40 -70.24 -14.56 62.66 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.369 -0.832 . . . . 0.0 110.15 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.9 m -68.46 -41.63 79.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.877 . . . . 0.0 110.192 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 9.7 p90 -90.28 -11.92 39.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.116 -0.99 . . . . 0.0 110.077 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.71 94.08 1.71 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.874 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 38' ' ' TRP . 9.8 p90 -64.03 144.74 98.17 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 38' ' ' TRP . 43.9 Cg_endo -49.95 157.81 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.911 1.479 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' HD2' ' HB3' ' A' ' 39' ' ' LEU . 13.1 tpt180 -64.53 -21.78 66.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.436 -0.79 . . . . 0.0 110.585 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.1 mm -54.44 -20.17 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 109.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 35' ' ' PRO . 90.1 m95 -75.98 -33.11 59.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.998 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' HB3' ' HD2' ' A' ' 36' ' ' ARG . 23.5 tp -72.52 -31.92 65.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.721 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.81 -36.37 78.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.822 . . . . 0.0 110.039 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -58.86 -34.94 72.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.81 -34.06 76.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -59.92 -31.19 71.49 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.45 -27.77 68.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -1.126 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.78 -39.21 93.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.972 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 16.8 tt -65.14 -19.4 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 109.934 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.505 ' N ' HG22 ' A' ' 46' ' ' ILE . 69.6 t80 -64.7 -31.58 72.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.353 -0.842 . . . . 0.0 110.038 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.48 -28.35 66.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 0.0 109.946 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.6 m -62.19 -34.74 77.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.323 -0.861 . . . . 0.0 110.059 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -66.66 -31.37 72.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.263 -0.898 . . . . 0.0 110.068 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.62 -115.07 3.89 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 119.825 -1.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.715 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -67.24 142.86 97.16 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.919 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -49.45 150.53 8.14 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.966 1.509 . . . . 0.0 109.996 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.5 ' NE ' ' CD2' ' A' ' 39' ' ' LEU . 9.6 tpt180 -60.33 -32.13 70.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.094 -1.004 . . . . 0.0 109.98 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.3 mt -49.95 -25.38 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.206 -0.934 . . . . 0.0 108.812 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -67.71 -37.37 82.15 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.349 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.5 ' CD2' ' NE ' ' A' ' 36' ' ' ARG . 32.0 tp -63.93 -34.02 77.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.458 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.4 -35.56 80.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.567 -0.708 . . . . 0.0 109.622 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -61.72 -34.73 76.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.455 -0.778 . . . . 0.0 109.736 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -58.33 -35.64 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 109.772 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.427 ' O ' ' CD2' ' A' ' 47' ' ' TYR . . . -55.01 -26.79 43.0 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.06 -34.27 68.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -1.103 . . . . 0.0 109.739 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -61.05 -35.61 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.401 -0.812 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.14 -40.26 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.228 -0.92 . . . . 0.0 110.136 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.573 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 80.1 m-85 -68.9 -29.28 67.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.433 -0.792 . . . . 0.0 110.16 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -69.08 -14.69 63.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.345 -0.847 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.8 m -73.25 -41.9 63.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 0.0 110.367 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 4.2 p90 -84.74 -17.05 39.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.96 . . . . 0.0 110.077 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.13 -142.43 5.97 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.867 -1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.702 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.22 140.63 97.97 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 110.175 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -59.06 -19.78 50.46 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.006 1.53 . . . . 0.0 110.484 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 7.6 tpp180 -63.79 -29.13 70.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.122 -0.987 . . . . 0.0 110.215 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.5 mt -49.6 -23.49 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.113 -0.992 . . . . 0.0 109.058 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.418 ' HA ' ' OD1' ' A' ' 41' ' ' ASN . 75.0 t90 -70.94 -32.53 69.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.527 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' HB3' ' HD3' ' A' ' 36' ' ' ARG . 13.1 tp -71.55 -29.1 64.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.328 -0.858 . . . . 0.0 109.517 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.85 -29.71 65.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 109.695 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 26.9 m120 -61.78 -36.9 82.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.82 . . . . 0.0 110.054 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.8 tp -60.02 -36.75 77.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 110.047 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.527 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -62.28 -26.44 67.83 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 93.4 mt-30 -65.0 -28.38 69.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -1.12 . . . . 0.0 110.09 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -60.71 -37.05 80.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.911 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.527 ' CG2' ' O ' ' A' ' 43' ' ' GLY . 16.0 tt -65.59 -22.17 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.248 -0.907 . . . . 0.0 109.791 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.495 ' N ' HG22 ' A' ' 46' ' ' ILE . 73.5 t80 -62.63 -34.85 77.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 0.0 109.995 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -66.14 -26.18 67.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.359 -0.838 . . . . 0.0 109.955 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.7 m -63.16 -34.96 78.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.331 -0.856 . . . . 0.0 109.999 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -66.53 -30.98 71.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.293 -0.879 . . . . 0.0 110.071 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.57 116.02 2.89 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.848 -1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.65 ' CH3' ' CD1' ' A' ' 38' ' ' TRP . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.535 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 24.1 t80 -56.22 -47.97 97.81 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.26 -0.9 . . . . 0.0 110.627 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 38' ' ' TRP . 46.2 Cg_endo -68.54 140.67 48.26 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 O-C-N 123.702 1.369 . . . . 0.0 110.458 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.523 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 7.5 tpt180 -61.2 -17.95 55.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.407 -0.808 . . . . 0.0 110.601 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.36 -21.21 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.69 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.65 ' CD1' ' CH3' ' A' ' 33' ' ' ACE . 68.1 m95 -72.73 -35.73 67.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 0.0 109.905 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.523 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 38.7 mt -69.21 -30.34 68.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.75 -38.28 87.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.379 -0.825 . . . . 0.0 109.968 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.36 -40.9 83.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.381 -0.824 . . . . 0.0 109.903 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -65.38 -33.29 75.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.974 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.43 -33.76 82.53 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.97 -35.94 78.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.242 -1.152 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.62 -38.23 90.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.265 -0.897 . . . . 0.0 109.98 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.5 mt -67.03 -31.73 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.0 110.002 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -62.21 -32.55 73.22 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.403 -0.811 . . . . 0.0 110.406 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.92 -24.13 63.33 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.347 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 m -64.49 -36.13 83.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 110.282 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -66.77 -32.18 73.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.163 -0.961 . . . . 0.0 110.229 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.75 156.62 0.07 OUTLIER Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.871 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.665 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -65.32 145.92 99.01 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -58.97 -15.16 26.06 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 O-C-N 124.037 1.546 . . . . 0.0 109.936 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.558 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 2.8 tpt180 -61.07 -27.7 68.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.866 . . . . 0.0 110.203 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.3 mt -51.19 -22.34 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.145 -0.972 . . . . 0.0 109.135 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -70.41 -36.48 74.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 0.0 109.623 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.558 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 42.9 mt -68.26 -31.18 70.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -61.71 -35.88 79.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.02 -32.18 70.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.0 109.9 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' HA ' ' CD2' ' A' ' 45' ' ' HIS . 14.2 tp -62.24 -33.93 75.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.416 -0.802 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.9 45.09 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.83 -32.26 69.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -1.096 . . . . 0.0 109.845 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' A' ' 42' ' ' LEU . 86.4 m-70 -58.08 -36.24 72.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 109.582 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.87 -38.6 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.327 -0.858 . . . . 0.0 109.639 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -68.99 -28.98 67.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.611 -0.681 . . . . 0.0 109.78 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.29 -26.9 68.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.416 -0.802 . . . . 0.0 110.431 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.4 m -61.46 -35.52 77.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' GLY . 98.4 m-85 -67.11 -31.01 71.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.251 -0.906 . . . . 0.0 110.078 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' TYR . . . 44.04 36.77 4.03 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.831 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.472 ' O ' ' HB3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.767 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 3.8 m-85 -50.67 -46.68 86.01 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 110.816 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 47.2 Cg_endo -72.48 -16.27 27.46 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.854 1.45 . . . . 0.0 110.94 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.522 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 8.6 tpt180 -65.92 -29.8 70.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.93 -1.106 . . . . 0.0 109.884 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.539 HG23 ' CD1' ' A' ' 38' ' ' TRP . 17.1 tt -50.31 -23.27 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 109.232 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.539 ' CD1' HG23 ' A' ' 37' ' ' ILE . 47.1 m0 -65.93 -36.19 82.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.475 -0.766 . . . . 0.0 109.714 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.522 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 45.9 mt -68.5 -28.92 67.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.156 -0.965 . . . . 0.0 109.917 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -62.31 -34.1 75.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -54.91 -36.21 64.97 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 110.179 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.58 -33.05 72.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -0.869 . . . . 0.0 110.105 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.2 -30.42 57.86 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -61.75 -38.2 87.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -60.98 -37.53 82.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.256 -0.903 . . . . 0.0 109.918 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' O ' ' OG1' ' A' ' 49' ' ' THR . 98.2 mt -65.17 -33.82 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.829 . . . . 0.0 109.936 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -61.5 -28.28 69.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.48 -0.763 . . . . 0.0 110.479 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.63 -27.78 62.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.341 -0.849 . . . . 0.0 110.438 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 46' ' ' ILE . 39.2 p -64.52 -33.16 75.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.221 -0.924 . . . . 0.0 110.403 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -63.48 -32.69 74.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.304 -0.873 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.82 -89.52 0.55 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.845 -1.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -66.33 147.05 99.06 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.28 -0.887 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -59.34 -16.79 36.64 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 O-C-N 124.054 1.555 . . . . 0.0 110.641 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 39' ' ' LEU . 22.5 tpt85 -64.53 -30.01 71.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.189 -0.944 . . . . 0.0 110.264 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.7 mt -52.78 -20.28 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.07 -1.019 . . . . 0.0 109.526 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -74.43 -31.99 62.49 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.377 -0.827 . . . . 0.0 110.092 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 63.5 mt -72.92 -28.53 62.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -32.38 73.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.799 . . . . 0.0 110.128 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -55.94 -32.51 63.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.32 -0.863 . . . . 0.0 110.033 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 7.0 mp -69.51 -30.27 68.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.359 -0.838 . . . . 0.0 110.232 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.98 -19.37 37.29 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.38 -32.82 74.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -1.111 . . . . 0.0 110.161 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -57.14 -32.95 66.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 0.0 109.778 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.5 -34.23 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.072 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -61.46 -32.79 72.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.432 -0.793 . . . . 0.0 110.405 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.72 -27.42 64.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 0.0 110.364 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.8 m -63.87 -35.4 80.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 0.0 110.251 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -67.47 -30.25 69.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 110.197 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.36 -40.97 0.17 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.858 -1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.779 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -65.84 144.24 98.78 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -61.16 -14.67 35.1 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 O-C-N 124.034 1.544 . . . . 0.0 110.477 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 28.3 tpt85 -63.25 -33.67 75.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.143 -0.973 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.7 mt -49.2 -23.47 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.017 -1.052 . . . . 0.0 109.018 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -69.68 -36.62 76.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.48 -0.762 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.534 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 51.9 mt -65.9 -29.69 70.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.79 -34.55 73.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.43 -0.794 . . . . 0.0 109.551 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.28 -32.3 72.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.94 -33.63 72.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.763 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.96 -24.2 49.2 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.84 -35.04 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.365 -1.08 . . . . 0.0 109.983 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -57.46 -36.83 71.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.176 -0.952 . . . . 0.0 109.594 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.93 -34.97 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.385 -0.822 . . . . 0.0 109.663 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.95 -32.81 73.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.481 -0.762 . . . . 0.0 110.221 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.86 -26.62 64.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.096 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.4 m -62.54 -35.57 79.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.324 -0.86 . . . . 0.0 110.125 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -64.83 -32.66 74.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.29 -0.881 . . . . 0.0 110.14 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.12 45.51 3.53 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.885 -1.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.578 ' H3 ' ' CD1' ' A' ' 38' ' ' TRP . . . . . . . . 0 C--O 1.215 -0.72 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.543 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 2.2 t80 -43.44 -58.98 3.7 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 110.687 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 46.2 Cg_endo -57.65 147.58 78.82 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.749 1.394 . . . . 0.0 110.367 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' CD ' ' CD1' ' A' ' 39' ' ' LEU . 11.6 tpt180 -64.33 -27.03 68.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.18 -0.95 . . . . 0.0 110.461 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.4 mm -52.16 -21.57 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.165 -0.959 . . . . 0.0 109.329 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.578 ' CD1' ' H3 ' ' A' ' 33' ' ' ACE . 76.2 t-105 -71.49 -36.96 71.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.436 -0.79 . . . . 0.0 109.607 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.499 ' CD1' ' CD ' ' A' ' 36' ' ' ARG . 34.2 mt -66.19 -30.05 70.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.875 . . . . 0.0 109.607 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -64.35 -33.83 76.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.466 -0.771 . . . . 0.0 109.669 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.463 ' OD1' ' OE1' ' A' ' 44' ' ' GLN . 54.5 t30 -62.2 -31.17 71.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.855 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.81 -34.49 71.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.446 -0.784 . . . . 0.0 110.024 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.67 -34.9 61.17 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.463 ' OE1' ' OD1' ' A' ' 41' ' ' ASN . 94.8 mt-30 -62.33 -30.89 71.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.338 -1.096 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.63 -39.44 84.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.938 . . . . 0.0 109.619 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 HD12 HG21 ' A' ' 46' ' ' ILE . 85.4 mt -61.96 -37.03 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.439 -0.788 . . . . 0.0 109.547 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -70.26 -28.93 65.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.544 -0.722 . . . . 0.0 109.928 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 98.9 mt-10 -66.34 -25.85 67.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 110.217 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.2 m -59.82 -34.07 72.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.162 -0.961 . . . . 0.0 110.017 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -70.5 -30.11 66.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 0.0 110.124 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.08 66.83 0.66 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.937 -1.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 1.023 ' CD ' HD12 ' A' ' 39' ' ' LEU . 10.9 tpt180 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.152 0.501 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.8 mt -51.18 -22.39 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.287 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.467 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 45.5 m0 -72.08 -35.78 69.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.573 -0.704 . . . . 0.0 109.878 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.023 HD12 ' CD ' ' A' ' 36' ' ' ARG . 53.2 mt -71.16 -32.91 69.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.809 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -60.8 -31.29 70.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.882 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -59.82 -31.8 70.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.89 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.99 -31.5 71.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 110.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 1.045 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -51.0 -34.98 31.88 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 98.1 mm-40 -62.07 -27.09 68.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.306 -1.114 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.16 -39.65 93.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.879 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.045 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.4 tt -63.84 -17.86 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 69.6 t80 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 110.189 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 1.071 ' CD ' HD12 ' A' ' 39' ' ' LEU . 7.7 tpt180 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.126 0.488 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.5 tt -50.9 -22.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 109.389 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -69.16 -37.6 78.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.712 . . . . 0.0 109.711 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.071 HD12 ' CD ' ' A' ' 36' ' ' ARG . 84.0 mt -68.32 -29.62 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.196 -0.94 . . . . 0.0 109.818 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -63.27 -37.38 87.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 0.0 109.946 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.77 -32.38 71.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HA ' ' ND1' ' A' ' 45' ' ' HIS . 27.0 tp -65.14 -31.72 73.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 110.199 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.72 92.07 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.18 -33.67 73.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -1.111 . . . . 0.0 110.088 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.445 ' ND1' ' HA ' ' A' ' 42' ' ' LEU . 78.8 m80 -59.29 -38.59 80.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.589 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -61.38 -37.38 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.444 -0.785 . . . . 0.0 109.632 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.696 -0.628 . . . . 0.0 110.262 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.791 ' NE ' HD23 ' A' ' 39' ' ' LEU . 10.0 tpt180 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.195 0.521 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.3 mm -51.11 -23.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.114 -0.991 . . . . 0.0 109.205 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -70.9 -35.25 72.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.434 -0.791 . . . . 0.0 109.474 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 42' ' ' LEU . 23.1 tp -66.8 -33.1 74.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.49 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.13 -38.12 85.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.475 -0.766 . . . . 0.0 109.522 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.46 -34.55 72.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.468 -0.77 . . . . 0.0 109.696 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 39' ' ' LEU . 55.6 mt -57.42 -37.52 72.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.548 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.9 -24.93 21.81 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -56.11 -34.17 65.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.465 -1.02 . . . . 0.0 109.452 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -59.51 -35.1 73.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 109.8 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.82 -41.04 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.977 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 0.0 109.919 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.839 ' NE ' HD23 ' A' ' 39' ' ' LEU . 11.4 tpt180 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 121.227 0.537 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.6 mt -51.01 -23.76 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.173 -0.954 . . . . 0.0 109.242 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -70.34 -33.66 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.497 -0.752 . . . . 0.0 109.518 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.839 HD23 ' NE ' ' A' ' 36' ' ' ARG . 27.6 tp -68.77 -34.66 75.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.74 -41.07 99.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.471 -0.768 . . . . 0.0 109.67 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.38 -32.15 73.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.418 -0.801 . . . . 0.0 109.768 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 42' ' ' LEU . 12.7 tp -63.85 -33.44 75.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.425 -0.797 . . . . 0.0 109.769 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.53 -34.68 69.92 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.57 -34.81 74.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -1.048 . . . . 0.0 109.794 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -58.9 -39.58 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.0 109.385 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.71 -36.86 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.372 -0.83 . . . . 0.0 109.503 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.506 -0.746 . . . . 0.0 109.935 179.782 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.69 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 10.3 tpt85 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.219 0.533 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.1 tt -48.9 -23.65 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.933 -1.105 . . . . 0.0 109.264 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -63.76 -37.54 87.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.558 -0.714 . . . . 0.0 109.898 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 36' ' ' ARG . 25.7 tp -66.51 -28.3 68.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.191 -0.943 . . . . 0.0 109.867 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.15 -31.15 71.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.408 -0.808 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -60.66 -38.26 84.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.377 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.24 -34.58 77.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.533 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 1.031 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -57.6 -34.07 68.74 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 92.9 mt-30 -61.35 -26.75 68.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -1.123 . . . . 0.0 110.34 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.77 -39.65 92.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.116 -0.99 . . . . 0.0 109.803 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.031 HG22 ' O ' ' A' ' 43' ' ' GLY . 6.8 tp -63.19 -19.17 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.996 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.447 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 68.0 t80 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 110.115 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.976 ' CD ' HD12 ' A' ' 39' ' ' LEU . 5.5 tpt180 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.199 0.523 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.437 HG23 ' H ' ' A' ' 37' ' ' ILE . 27.8 pt -51.08 -22.52 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -73.14 -35.87 66.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.976 HD12 ' CD ' ' A' ' 36' ' ' ARG . 46.3 mt -69.46 -33.81 73.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.93 . . . . 0.0 109.536 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -61.6 -33.24 73.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.653 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.47 -33.94 75.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.541 -0.725 . . . . 0.0 109.69 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.44 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 109.944 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.78 38.85 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.04 -34.46 73.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.271 -1.135 . . . . 0.0 109.976 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -58.7 -38.4 78.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.526 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 99.6 mt -61.57 -35.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.376 -0.828 . . . . 0.0 109.585 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.545 -0.722 . . . . 0.0 110.169 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.546 ' CD ' ' HB3' ' A' ' 39' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.293 0.568 . . . . 0.0 110.349 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 99.0 mt -51.0 -26.48 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.077 -1.014 . . . . 0.0 109.221 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -69.38 -30.94 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.494 -0.754 . . . . 0.0 109.37 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HB3' ' CD ' ' A' ' 36' ' ' ARG . 20.3 tp -70.03 -29.71 66.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.346 -0.846 . . . . 0.0 109.304 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -68.1 -37.12 80.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.569 -0.707 . . . . 0.0 109.949 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -67.4 -36.76 81.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.9 -36.52 83.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.83 -34.1 60.83 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -62.62 -32.72 73.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.259 -1.142 . . . . 0.0 110.151 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.96 -40.49 95.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.948 . . . . 0.0 109.912 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.66 -35.9 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 109.953 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 12.0 m-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.212 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 1.025 ' CD ' HD12 ' A' ' 39' ' ' LEU . 8.9 tpt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.065 0.46 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.408 ' H ' HG23 ' A' ' 37' ' ' ILE . 27.4 pt -49.29 -24.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 108.862 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -64.06 -39.09 93.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.549 -0.719 . . . . 0.0 109.527 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.025 HD12 ' CD ' ' A' ' 36' ' ' ARG . 88.7 mt -70.35 -30.14 67.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.95 -35.72 81.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.378 -0.826 . . . . 0.0 109.873 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.2 -39.48 63.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 109.74 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.15 -34.65 72.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 0.0 109.825 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.09 -29.45 68.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -58.8 -35.73 73.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.153 . . . . 0.0 109.8 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -59.69 -38.44 81.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.27 -0.894 . . . . 0.0 109.535 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.09 -34.23 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.459 -0.776 . . . . 0.0 109.74 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.8 t80 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.399 -0.813 . . . . 0.0 109.983 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.846 ' NE ' HD23 ' A' ' 39' ' ' LEU . 10.4 tpt180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.285 0.565 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.86 -23.75 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 108.946 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -69.19 -36.3 77.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 109.315 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.894 HD12 HD12 ' A' ' 42' ' ' LEU . 26.7 tp -65.14 -29.86 70.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.313 -0.867 . . . . 0.0 109.427 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.54 -33.21 74.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.745 . . . . 0.0 109.708 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.1 -33.31 75.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.894 HD12 HD12 ' A' ' 39' ' ' LEU . 44.1 mt -55.78 -37.31 68.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 0.0 109.924 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.56 -38.23 62.8 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.38 -29.05 67.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.379 -1.071 . . . . 0.0 109.977 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -60.99 -38.86 87.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.206 -0.934 . . . . 0.0 109.807 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.3 mm -63.17 -40.77 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.367 -0.833 . . . . 0.0 109.731 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.499 -0.751 . . . . 0.0 109.821 179.64 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 1.034 ' CD ' HD12 ' A' ' 39' ' ' LEU . 6.0 tpt180 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.109 0.48 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 37' ' ' ILE . 79.5 mt -50.84 -22.44 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 109.052 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -71.15 -36.35 72.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.557 -0.714 . . . . 0.0 109.774 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.034 HD12 ' CD ' ' A' ' 36' ' ' ARG . 47.0 mt -69.73 -29.12 66.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.252 -0.905 . . . . 0.0 109.873 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -67.42 -34.6 77.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.979 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.2 -34.19 74.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.835 . . . . 0.0 109.846 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.41 -33.18 74.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.866 . . . . 0.0 110.001 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -26.31 57.42 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.03 -37.38 84.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -1.129 . . . . 0.0 110.178 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -57.37 -36.51 71.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.662 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.34 -33.81 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.833 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.461 -0.774 . . . . 0.0 110.32 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 12.0 tpp85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.194 0.521 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.9 mt -48.06 -25.16 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.821 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 47.1 m0 -66.04 -34.41 78.01 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.537 -0.727 . . . . 0.0 109.138 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 42' ' ' LEU . 25.8 tp -67.13 -30.8 70.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.864 . . . . 0.0 109.212 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -70.29 -29.36 66.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.549 -0.72 . . . . 0.0 109.525 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -62.64 -31.99 72.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.459 -0.776 . . . . 0.0 110.049 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 42' ' ' LEU . 6.7 mp -68.79 -34.13 75.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 0.0 110.103 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.3 -33.07 73.89 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.23 -30.92 69.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -1.036 . . . . 0.0 109.957 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.31 -40.32 85.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.212 -0.93 . . . . 0.0 109.533 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.1 -38.45 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.384 -0.823 . . . . 0.0 109.52 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.608 -0.682 . . . . 0.0 109.758 179.597 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.754 ' NE ' HD23 ' A' ' 39' ' ' LEU . 13.1 tpt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.151 0.5 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.1 mm -54.44 -20.17 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 109.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -75.98 -33.11 59.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.998 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.754 HD23 ' NE ' ' A' ' 36' ' ' ARG . 23.5 tp -72.52 -31.92 65.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.721 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.81 -36.37 78.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.822 . . . . 0.0 110.039 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -58.86 -34.94 72.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.81 -34.06 76.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 1.06 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -59.92 -31.19 71.49 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.45 -27.77 68.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -1.126 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.78 -39.21 93.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.972 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.06 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.8 tt -65.14 -19.4 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 109.934 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.353 -0.842 . . . . 0.0 110.038 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.874 ' NE ' HD23 ' A' ' 39' ' ' LEU . 9.6 tpt180 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.202 0.525 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.3 mt -49.95 -25.38 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.206 -0.934 . . . . 0.0 108.812 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -67.71 -37.37 82.15 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.349 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 42' ' ' LEU . 32.0 tp -63.93 -34.02 77.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.458 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.4 -35.56 80.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.567 -0.708 . . . . 0.0 109.622 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -61.72 -34.73 76.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.455 -0.778 . . . . 0.0 109.736 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 39' ' ' LEU . 58.4 mt -58.33 -35.64 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 109.772 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.427 ' O ' ' CD2' ' A' ' 47' ' ' TYR . . . -55.01 -26.79 43.0 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.06 -34.27 68.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -1.103 . . . . 0.0 109.739 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -61.05 -35.61 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.401 -0.812 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.14 -40.26 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.228 -0.92 . . . . 0.0 110.136 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 43' ' ' GLY . 80.1 m-85 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.433 -0.792 . . . . 0.0 110.16 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.513 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 7.6 tpp180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.158 0.504 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.5 mt -49.6 -23.49 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.113 -0.992 . . . . 0.0 109.058 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.435 ' HA ' ' OD1' ' A' ' 41' ' ' ASN . 75.0 t90 -70.94 -32.53 69.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.527 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HB3' ' HD3' ' A' ' 36' ' ' ARG . 13.1 tp -71.55 -29.1 64.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.328 -0.858 . . . . 0.0 109.517 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.85 -29.71 65.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 109.695 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 26.9 m120 -61.78 -36.9 82.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.82 . . . . 0.0 110.054 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' ' ND1' ' A' ' 45' ' ' HIS . 23.8 tp -60.02 -36.75 77.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 1.022 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -62.28 -26.44 67.83 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 93.4 mt-30 -65.0 -28.38 69.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -1.12 . . . . 0.0 110.09 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' ND1' ' HA ' ' A' ' 42' ' ' LEU . 76.5 m80 -60.71 -37.05 80.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.911 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.022 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.0 tt -65.59 -22.17 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.248 -0.907 . . . . 0.0 109.791 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 73.5 t80 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 0.0 109.995 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.998 ' CD ' HD12 ' A' ' 39' ' ' LEU . 7.5 tpt180 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.093 0.473 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.36 -21.21 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.69 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -72.73 -35.73 67.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 0.0 109.905 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.998 HD12 ' CD ' ' A' ' 36' ' ' ARG . 38.7 mt -69.21 -30.34 68.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.75 -38.28 87.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.379 -0.825 . . . . 0.0 109.968 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.36 -40.9 83.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.381 -0.824 . . . . 0.0 109.903 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -65.38 -33.29 75.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.974 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.43 -33.76 82.53 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.97 -35.94 78.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.242 -1.152 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.62 -38.23 90.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.265 -0.897 . . . . 0.0 109.98 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.5 mt -67.03 -31.73 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.0 110.002 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 t80 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.403 -0.811 . . . . 0.0 110.406 -179.859 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 1.045 ' CD ' HD12 ' A' ' 39' ' ' LEU . 2.8 tpt180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.257 0.551 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.3 mt -51.19 -22.34 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.145 -0.972 . . . . 0.0 109.135 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -70.41 -36.48 74.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 0.0 109.623 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.045 HD12 ' CD ' ' A' ' 36' ' ' ARG . 42.9 mt -68.26 -31.18 70.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -61.71 -35.88 79.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.02 -32.18 70.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.0 109.9 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' ND1' ' A' ' 45' ' ' HIS . 14.2 tp -62.24 -33.93 75.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.416 -0.802 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.9 45.09 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.83 -32.26 69.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -1.096 . . . . 0.0 109.845 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.509 ' ND1' HD12 ' A' ' 42' ' ' LEU . 38.9 m80 -58.08 -36.24 72.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 109.582 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.87 -38.6 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.327 -0.858 . . . . 0.0 109.639 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.611 -0.681 . . . . 0.0 109.78 179.656 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.993 ' CD ' HD12 ' A' ' 39' ' ' LEU . 8.6 tpt180 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.243 0.544 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.565 HG23 ' HD1' ' A' ' 38' ' ' TRP . 17.1 tt -50.31 -23.27 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 109.232 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' HD1' HG23 ' A' ' 37' ' ' ILE . 47.1 m0 -65.93 -36.19 82.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.475 -0.766 . . . . 0.0 109.714 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.993 HD12 ' CD ' ' A' ' 36' ' ' ARG . 45.9 mt -68.5 -28.92 67.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.156 -0.965 . . . . 0.0 109.917 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -62.31 -34.1 75.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -54.91 -36.21 64.97 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 110.179 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.58 -33.05 72.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -0.869 . . . . 0.0 110.105 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.2 -30.42 57.86 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -61.75 -38.2 87.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -60.98 -37.53 82.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.256 -0.903 . . . . 0.0 109.918 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.2 mt -65.17 -33.82 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.829 . . . . 0.0 109.936 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.48 -0.763 . . . . 0.0 110.479 -179.839 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.963 ' CD ' HD12 ' A' ' 39' ' ' LEU . 22.5 tpt85 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.176 0.513 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.7 mt -52.78 -20.28 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.07 -1.019 . . . . 0.0 109.526 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -74.43 -31.99 62.49 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.377 -0.827 . . . . 0.0 110.092 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.963 HD12 ' CD ' ' A' ' 36' ' ' ARG . 63.5 mt -72.92 -28.53 62.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -32.38 73.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.799 . . . . 0.0 110.128 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -55.94 -32.51 63.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.32 -0.863 . . . . 0.0 110.033 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.0 mp -69.51 -30.27 68.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.359 -0.838 . . . . 0.0 110.232 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.98 -19.37 37.29 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.38 -32.82 74.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -1.111 . . . . 0.0 110.161 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -57.14 -32.95 66.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 0.0 109.778 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.5 -34.23 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.072 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 t80 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.432 -0.793 . . . . 0.0 110.405 -179.798 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 1.028 ' CD ' HD12 ' A' ' 39' ' ' LEU . 28.3 tpt85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.336 0.588 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.7 mt -49.2 -23.47 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.017 -1.052 . . . . 0.0 109.018 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -69.68 -36.62 76.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.48 -0.762 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.028 HD12 ' CD ' ' A' ' 36' ' ' ARG . 51.9 mt -65.9 -29.69 70.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.79 -34.55 73.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.43 -0.794 . . . . 0.0 109.551 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.28 -32.3 72.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD12 ' ND1' ' A' ' 45' ' ' HIS . 19.5 tp -59.94 -33.63 72.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.763 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.96 -24.2 49.2 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.84 -35.04 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.365 -1.08 . . . . 0.0 109.983 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.47 ' ND1' HD12 ' A' ' 42' ' ' LEU . 37.7 m80 -57.46 -36.83 71.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.176 -0.952 . . . . 0.0 109.594 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.93 -34.97 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.385 -0.822 . . . . 0.0 109.663 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.481 -0.762 . . . . 0.0 110.221 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.955 ' CD ' HD12 ' A' ' 39' ' ' LEU . 11.6 tpt180 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.149 0.5 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.4 mm -52.16 -21.57 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.165 -0.959 . . . . 0.0 109.329 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -71.49 -36.96 71.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.436 -0.79 . . . . 0.0 109.607 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.955 HD12 ' CD ' ' A' ' 36' ' ' ARG . 34.2 mt -66.19 -30.05 70.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.875 . . . . 0.0 109.607 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -64.35 -33.83 76.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.466 -0.771 . . . . 0.0 109.669 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.463 ' OD1' ' OE1' ' A' ' 44' ' ' GLN . 54.5 t30 -62.2 -31.17 71.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.855 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.81 -34.49 71.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.446 -0.784 . . . . 0.0 110.024 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.67 -34.9 61.17 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.463 ' OE1' ' OD1' ' A' ' 41' ' ' ASN . 94.8 mt-30 -62.33 -30.89 71.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.338 -1.096 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.63 -39.44 84.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.938 . . . . 0.0 109.619 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.96 -37.03 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.439 -0.788 . . . . 0.0 109.547 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.544 -0.722 . . . . 0.0 109.928 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.759 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.83 141.96 95.21 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -59.0 -15.3 26.91 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 O-C-N 123.937 1.493 . . . . 0.0 110.026 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 1.023 ' CD ' HD12 ' A' ' 39' ' ' LEU . 10.9 tpt180 -62.45 -26.23 68.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.329 -0.857 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.8 mt -51.18 -22.39 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.287 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.467 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 45.5 m0 -72.08 -35.78 69.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.573 -0.704 . . . . 0.0 109.878 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.023 HD12 ' CD ' ' A' ' 36' ' ' ARG . 53.2 mt -71.16 -32.91 69.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.809 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -60.8 -31.29 70.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.882 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -59.82 -31.8 70.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.89 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.99 -31.5 71.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 110.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 1.045 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -51.0 -34.98 31.88 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 98.1 mm-40 -62.07 -27.09 68.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.306 -1.114 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.16 -39.65 93.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.879 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.045 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.4 tt -63.84 -17.86 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 69.6 t80 -67.18 -28.97 68.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 110.189 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.01 -28.81 64.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.356 -0.84 . . . . 0.0 110.675 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 46' ' ' ILE . 58.4 p -65.8 -33.55 76.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.208 -0.932 . . . . 0.0 110.391 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.57 ' CE2' ' O ' ' A' ' 46' ' ' ILE . 97.4 m-85 -66.07 -32.45 73.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.256 -0.902 . . . . 0.0 110.283 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.19 -88.64 0.07 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.9 -1.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 20.9 p90 -65.54 143.31 98.62 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.257 -0.902 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HB2' HG22 ' A' ' 37' ' ' ILE . 46.2 Cg_endo -53.18 147.31 35.64 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 O-C-N 123.942 1.496 . . . . 0.0 110.292 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 1.071 ' CD ' HD12 ' A' ' 39' ' ' LEU . 7.7 tpt180 -59.46 -28.05 66.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.97 . . . . 0.0 110.287 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.415 HG22 ' HB2' ' A' ' 35' ' ' PRO . 18.5 tt -50.9 -22.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 109.389 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -69.16 -37.6 78.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.712 . . . . 0.0 109.711 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.071 HD12 ' CD ' ' A' ' 36' ' ' ARG . 84.0 mt -68.32 -29.62 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.196 -0.94 . . . . 0.0 109.818 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -63.27 -37.38 87.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 0.0 109.946 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.77 -32.38 71.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HA ' ' ND1' ' A' ' 45' ' ' HIS . 27.0 tp -65.14 -31.72 73.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 110.199 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.72 92.07 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.18 -33.67 73.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -1.111 . . . . 0.0 110.088 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.445 ' ND1' ' HA ' ' A' ' 42' ' ' LEU . 78.8 m80 -59.29 -38.59 80.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.589 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -61.38 -37.38 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.444 -0.785 . . . . 0.0 109.632 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.573 ' CZ ' ' OH ' ' A' ' 50' ' ' TYR . 65.0 t80 -63.26 -31.84 73.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.696 -0.628 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -80.0 -9.61 59.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 110.517 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.2 m -71.18 -44.28 65.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.909 . . . . 0.0 110.485 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' OH ' ' CZ ' ' A' ' 47' ' ' TYR . 4.2 p90 -80.66 -17.45 51.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 0.0 110.422 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.37 98.78 0.86 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.879 -1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -66.54 140.51 96.56 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -52.85 154.66 12.32 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 O-C-N 124.006 1.529 . . . . 0.0 110.143 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.791 ' NE ' HD23 ' A' ' 39' ' ' LEU . 10.0 tpt180 -65.48 -30.08 70.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.192 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.3 mm -51.11 -23.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.114 -0.991 . . . . 0.0 109.205 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -70.9 -35.25 72.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.434 -0.791 . . . . 0.0 109.474 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 42' ' ' LEU . 23.1 tp -66.8 -33.1 74.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.49 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.13 -38.12 85.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.475 -0.766 . . . . 0.0 109.522 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.46 -34.55 72.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.468 -0.77 . . . . 0.0 109.696 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 39' ' ' LEU . 55.6 mt -57.42 -37.52 72.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.548 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.9 -24.93 21.81 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 63.7 tt0 -56.11 -34.17 65.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.465 -1.02 . . . . 0.0 109.452 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -59.51 -35.1 73.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 109.8 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.82 -41.04 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.977 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -65.96 -30.66 71.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 0.0 109.919 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 99.2 mt-10 -67.91 -24.77 65.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.363 -0.836 . . . . 0.0 109.96 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.5 m -60.66 -35.3 75.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.395 -0.816 . . . . 0.0 109.946 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -65.93 -31.58 72.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 110.068 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.13 15.83 27.09 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.767 -2.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.753 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.98 140.2 98.03 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.293 -0.879 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -61.53 -14.1 33.35 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 124.016 1.535 . . . . 0.0 110.129 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.839 ' NE ' HD23 ' A' ' 39' ' ' LEU . 11.4 tpt180 -63.79 -28.91 70.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.207 -0.933 . . . . 0.0 110.243 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.6 mt -51.01 -23.76 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.173 -0.954 . . . . 0.0 109.242 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -70.34 -33.66 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.497 -0.752 . . . . 0.0 109.518 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.839 HD23 ' NE ' ' A' ' 36' ' ' ARG . 27.6 tp -68.77 -34.66 75.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.74 -41.07 99.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.471 -0.768 . . . . 0.0 109.67 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.38 -32.15 73.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.418 -0.801 . . . . 0.0 109.768 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 42' ' ' LEU . 12.7 tp -63.85 -33.44 75.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.425 -0.797 . . . . 0.0 109.769 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.53 -34.68 69.92 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.57 -34.81 74.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -1.048 . . . . 0.0 109.794 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -58.9 -39.58 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.0 109.385 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.71 -36.86 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.372 -0.83 . . . . 0.0 109.503 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.52 -33.43 74.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.506 -0.746 . . . . 0.0 109.935 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -69.58 -26.33 64.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 109.885 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.1 m -60.41 -34.38 73.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.871 . . . . 0.0 110.05 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -67.29 -30.46 70.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.313 -0.867 . . . . 0.0 110.081 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.16 7.45 37.87 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.834 -1.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 0.982 ' H3 ' ' CG ' ' A' ' 38' ' ' TRP . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.553 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 4.1 m-85 -45.57 -59.56 4.38 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.36 -0.837 . . . . 0.0 110.541 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 45.5 Cg_endo -58.57 146.97 89.18 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 O-C-N 123.718 1.378 . . . . 0.0 110.285 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.69 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 10.3 tpt85 -65.04 -30.8 71.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.184 -0.947 . . . . 0.0 110.407 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 35' ' ' PRO . 17.1 tt -48.9 -23.65 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.933 -1.105 . . . . 0.0 109.264 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.982 ' CG ' ' H3 ' ' A' ' 33' ' ' ACE . 75.6 t-105 -63.76 -37.54 87.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.558 -0.714 . . . . 0.0 109.898 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 36' ' ' ARG . 25.7 tp -66.51 -28.3 68.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.191 -0.943 . . . . 0.0 109.867 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.15 -31.15 71.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.408 -0.808 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -60.66 -38.26 84.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.377 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.24 -34.58 77.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.533 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 1.031 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -57.6 -34.07 68.74 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 92.9 mt-30 -61.35 -26.75 68.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -1.123 . . . . 0.0 110.34 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.77 -39.65 92.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.116 -0.99 . . . . 0.0 109.803 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.031 HG22 ' O ' ' A' ' 43' ' ' GLY . 6.8 tp -63.19 -19.17 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.996 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' O ' ' CE2' ' A' ' 50' ' ' TYR . 68.0 t80 -69.68 -33.5 72.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 110.115 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -80.06 -13.51 59.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.276 -0.89 . . . . 0.0 110.587 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 m -72.86 -43.54 62.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.743 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 47' ' ' TYR . 4.2 p90 -80.0 -21.21 43.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.116 -0.99 . . . . 0.0 110.515 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.37 -159.71 23.71 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.792 -2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 0.512 ' O ' ' HB3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.813 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 3.0 t80 -46.52 -48.31 47.67 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.037 -1.039 . . . . 0.0 110.795 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 45.6 Cg_endo -67.73 -5.5 14.48 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 O-C-N 123.634 1.334 . . . . 0.0 110.871 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.976 ' CD ' HD12 ' A' ' 39' ' ' LEU . 5.5 tpt180 -66.18 -28.67 68.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.035 -1.041 . . . . 0.0 110.031 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 34' ' ' PHE . 27.8 pt -51.08 -22.52 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -73.14 -35.87 66.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.976 HD12 ' CD ' ' A' ' 36' ' ' ARG . 46.3 mt -69.46 -33.81 73.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.93 . . . . 0.0 109.536 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -61.6 -33.24 73.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.653 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.47 -33.94 75.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.541 -0.725 . . . . 0.0 109.69 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.44 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 109.944 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.78 38.85 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.04 -34.46 73.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.271 -1.135 . . . . 0.0 109.976 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -58.7 -38.4 78.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.526 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.585 HG22 ' HE2' ' A' ' 50' ' ' TYR . 99.6 mt -61.57 -35.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.376 -0.828 . . . . 0.0 109.585 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -61.27 -32.61 72.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.545 -0.722 . . . . 0.0 110.169 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.61 -26.83 63.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.0 110.047 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.1 m -62.14 -36.21 81.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.36 -0.837 . . . . 0.0 110.14 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.585 ' HE2' HG22 ' A' ' 46' ' ' ILE . 96.2 m-85 -66.67 -31.23 71.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 0.0 110.179 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.25 -71.76 1.09 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.91 -1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.703 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.53 138.72 97.54 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.927 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -58.29 -18.46 37.92 Favored 'Trans proline' 0 C--N 1.303 -1.834 0 O-C-N 124.046 1.551 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.546 ' CD ' ' HB3' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -66.15 -27.53 68.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.199 -0.938 . . . . 0.0 110.349 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 99.0 mt -51.0 -26.48 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.077 -1.014 . . . . 0.0 109.221 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -69.38 -30.94 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.494 -0.754 . . . . 0.0 109.37 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HB3' ' CD ' ' A' ' 36' ' ' ARG . 20.3 tp -70.03 -29.71 66.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.346 -0.846 . . . . 0.0 109.304 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -68.1 -37.12 80.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.569 -0.707 . . . . 0.0 109.949 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -67.4 -36.76 81.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.9 -36.52 83.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.83 -34.1 60.83 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 93.5 mt-30 -62.62 -32.72 73.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.259 -1.142 . . . . 0.0 110.151 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.96 -40.49 95.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.948 . . . . 0.0 109.912 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.444 ' O ' ' OG1' ' A' ' 49' ' ' THR . 89.5 mt -63.66 -35.9 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 109.953 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.573 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 12.0 m-30 -65.74 -29.04 69.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.212 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 72.9 mm-40 -66.15 -14.81 62.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.357 -0.839 . . . . 0.0 110.595 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 46' ' ' ILE . 76.4 p -73.83 -42.53 60.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.114 -0.991 . . . . 0.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 7.1 p90 -87.47 -10.93 50.47 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.199 -0.938 . . . . 0.0 110.385 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.3 111.9 3.79 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.816 -1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.764 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 37' ' ' ILE . 66.2 m-85 -65.74 145.59 99.03 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.883 . . . . 0.0 110.125 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -58.05 -17.49 31.59 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 123.936 1.493 . . . . 0.0 110.55 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 1.025 ' CD ' HD12 ' A' ' 39' ' ' LEU . 8.9 tpt180 -64.49 -31.02 72.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.17 -0.956 . . . . 0.0 110.379 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 34' ' ' PHE . 27.4 pt -49.29 -24.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 108.862 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -64.06 -39.09 93.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.549 -0.719 . . . . 0.0 109.527 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.025 HD12 ' CD ' ' A' ' 36' ' ' ARG . 88.7 mt -70.35 -30.14 67.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.95 -35.72 81.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.378 -0.826 . . . . 0.0 109.873 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.2 -39.48 63.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 109.74 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.15 -34.65 72.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 0.0 109.825 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.09 -29.45 68.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -58.8 -35.73 73.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.153 . . . . 0.0 109.8 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -59.69 -38.44 81.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.27 -0.894 . . . . 0.0 109.535 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.09 -34.23 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.459 -0.776 . . . . 0.0 109.74 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.545 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 61.8 t80 -58.79 -33.63 70.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.399 -0.813 . . . . 0.0 109.983 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -79.8 -10.78 59.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -0.791 . . . . 0.0 110.239 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.4 m -76.17 -43.88 40.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 110.448 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.545 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 2.8 p90 -77.45 -25.01 50.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 0.0 110.391 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.1 -168.67 41.6 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 119.853 -1.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 0.498 ' O ' ' HB3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.764 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 t80 -45.11 -47.59 31.85 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.095 -1.003 . . . . 0.0 110.589 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 47.6 Cg_endo -72.26 -7.6 21.24 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.828 1.436 . . . . 0.0 110.956 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.846 ' NE ' HD23 ' A' ' 39' ' ' LEU . 10.4 tpt180 -63.84 -33.47 75.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.934 -1.104 . . . . 0.0 110.017 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.86 -23.75 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 108.946 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -69.19 -36.3 77.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 109.315 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.894 HD12 HD12 ' A' ' 42' ' ' LEU . 26.7 tp -65.14 -29.86 70.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.313 -0.867 . . . . 0.0 109.427 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.54 -33.21 74.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.745 . . . . 0.0 109.708 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.1 -33.31 75.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.894 HD12 HD12 ' A' ' 39' ' ' LEU . 44.1 mt -55.78 -37.31 68.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 0.0 109.924 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.56 -38.23 62.8 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.38 -29.05 67.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.379 -1.071 . . . . 0.0 109.977 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -60.99 -38.86 87.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.206 -0.934 . . . . 0.0 109.807 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.3 mm -63.17 -40.77 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.367 -0.833 . . . . 0.0 109.731 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -67.72 -29.67 68.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.499 -0.751 . . . . 0.0 109.821 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.25 -25.29 65.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.818 . . . . 0.0 110.199 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.1 m -59.33 -34.3 72.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.0 110.007 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -67.65 -29.95 69.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.371 -0.831 . . . . 0.0 110.091 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.25 -89.8 0.01 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.854 -1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.754 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.04 142.8 98.75 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.331 -0.856 . . . . 0.0 110.077 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -63.53 -16.95 57.76 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 O-C-N 123.993 1.523 . . . . 0.0 110.479 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 1.034 ' CD ' HD12 ' A' ' 39' ' ' LEU . 6.0 tpt180 -63.06 -30.33 71.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.134 -0.979 . . . . 0.0 110.227 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 37' ' ' ILE . 79.5 mt -50.84 -22.44 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 109.052 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -71.15 -36.35 72.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.557 -0.714 . . . . 0.0 109.774 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.034 HD12 ' CD ' ' A' ' 36' ' ' ARG . 47.0 mt -69.73 -29.12 66.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.252 -0.905 . . . . 0.0 109.873 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -67.42 -34.6 77.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.979 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.2 -34.19 74.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.835 . . . . 0.0 109.846 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.41 -33.18 74.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.866 . . . . 0.0 110.001 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -26.31 57.42 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.03 -37.38 84.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -1.129 . . . . 0.0 110.178 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -57.37 -36.51 71.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.662 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.34 -33.81 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.833 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.51 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 68.4 t80 -59.69 -31.85 69.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.461 -0.774 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.81 -20.89 61.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -0.904 . . . . 0.0 110.054 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.3 m -59.33 -24.66 63.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.883 . . . . 0.0 109.977 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.585 ' CD1' ' N ' ' A' ' 51' ' ' GLY . 0.5 OUTLIER -64.72 -24.83 67.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.585 ' N ' ' CD1' ' A' ' 50' ' ' TYR . . . -57.89 -55.82 28.51 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.809 -1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.754 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -65.91 134.41 95.08 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.28 -0.888 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -59.93 -15.14 31.27 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 O-C-N 124.079 1.568 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 12.0 tpp85 -62.51 -33.06 74.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.137 -0.977 . . . . 0.0 109.992 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.9 mt -48.06 -25.16 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.821 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 47.1 m0 -66.04 -34.41 78.01 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.537 -0.727 . . . . 0.0 109.138 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 42' ' ' LEU . 25.8 tp -67.13 -30.8 70.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.864 . . . . 0.0 109.212 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -70.29 -29.36 66.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.549 -0.72 . . . . 0.0 109.525 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -62.64 -31.99 72.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.459 -0.776 . . . . 0.0 110.049 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 42' ' ' LEU . 6.7 mp -68.79 -34.13 75.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 0.0 110.103 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.3 -33.07 73.89 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 92.8 mt-30 -60.23 -30.92 69.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -1.036 . . . . 0.0 109.957 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.31 -40.32 85.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.212 -0.93 . . . . 0.0 109.533 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.1 -38.45 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.384 -0.823 . . . . 0.0 109.52 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.576 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 88.2 m-85 -70.08 -29.2 66.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.608 -0.682 . . . . 0.0 109.758 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 74.0 mm-40 -70.24 -14.56 62.66 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.369 -0.832 . . . . 0.0 110.15 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.9 m -68.46 -41.63 79.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.877 . . . . 0.0 110.192 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 9.7 p90 -90.28 -11.92 39.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.116 -0.99 . . . . 0.0 110.077 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.71 94.08 1.71 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.874 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.589 ' HB2' ' CD1' ' A' ' 38' ' ' TRP . 9.8 p90 -64.03 144.74 98.17 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 38' ' ' TRP . 43.9 Cg_endo -49.95 157.81 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.911 1.479 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.754 ' NE ' HD23 ' A' ' 39' ' ' LEU . 13.1 tpt180 -64.53 -21.78 66.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.436 -0.79 . . . . 0.0 110.585 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.1 mm -54.44 -20.17 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 109.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.589 ' CD1' ' HB2' ' A' ' 34' ' ' PHE . 90.1 m95 -75.98 -33.11 59.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.998 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.754 HD23 ' NE ' ' A' ' 36' ' ' ARG . 23.5 tp -72.52 -31.92 65.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.721 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.81 -36.37 78.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.822 . . . . 0.0 110.039 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -58.86 -34.94 72.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.81 -34.06 76.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 1.06 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -59.92 -31.19 71.49 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.45 -27.77 68.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -1.126 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.78 -39.21 93.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.972 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.06 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.8 tt -65.14 -19.4 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 109.934 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -64.7 -31.58 72.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.353 -0.842 . . . . 0.0 110.038 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.48 -28.35 66.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 0.0 109.946 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.6 m -62.19 -34.74 77.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.323 -0.861 . . . . 0.0 110.059 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -66.66 -31.37 72.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.263 -0.898 . . . . 0.0 110.068 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.62 -115.07 3.89 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 119.825 -1.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.715 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -67.24 142.86 97.16 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.919 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -49.45 150.53 8.14 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.966 1.509 . . . . 0.0 109.996 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.874 ' NE ' HD23 ' A' ' 39' ' ' LEU . 9.6 tpt180 -60.33 -32.13 70.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.094 -1.004 . . . . 0.0 109.98 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.3 mt -49.95 -25.38 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.206 -0.934 . . . . 0.0 108.812 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -67.71 -37.37 82.15 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.349 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 42' ' ' LEU . 32.0 tp -63.93 -34.02 77.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.458 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.4 -35.56 80.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.567 -0.708 . . . . 0.0 109.622 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -61.72 -34.73 76.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.455 -0.778 . . . . 0.0 109.736 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 39' ' ' LEU . 58.4 mt -58.33 -35.64 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 109.772 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.427 ' O ' ' CD2' ' A' ' 47' ' ' TYR . . . -55.01 -26.79 43.0 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.06 -34.27 68.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -1.103 . . . . 0.0 109.739 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -61.05 -35.61 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.401 -0.812 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.14 -40.26 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.228 -0.92 . . . . 0.0 110.136 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.573 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 80.1 m-85 -68.9 -29.28 67.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.433 -0.792 . . . . 0.0 110.16 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -69.08 -14.69 63.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.345 -0.847 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.8 m -73.25 -41.9 63.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 0.0 110.367 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 4.2 p90 -84.74 -17.05 39.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.96 . . . . 0.0 110.077 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.13 -142.43 5.97 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.867 -1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.702 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.22 140.63 97.97 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 110.175 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -59.06 -19.78 50.46 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.006 1.53 . . . . 0.0 110.484 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.513 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 7.6 tpp180 -63.79 -29.13 70.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.122 -0.987 . . . . 0.0 110.215 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.5 mt -49.6 -23.49 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.113 -0.992 . . . . 0.0 109.058 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.435 ' HA ' ' OD1' ' A' ' 41' ' ' ASN . 75.0 t90 -70.94 -32.53 69.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.527 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HB3' ' HD3' ' A' ' 36' ' ' ARG . 13.1 tp -71.55 -29.1 64.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.328 -0.858 . . . . 0.0 109.517 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.85 -29.71 65.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 109.695 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 26.9 m120 -61.78 -36.9 82.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.82 . . . . 0.0 110.054 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' ' ND1' ' A' ' 45' ' ' HIS . 23.8 tp -60.02 -36.75 77.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 1.022 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -62.28 -26.44 67.83 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 93.4 mt-30 -65.0 -28.38 69.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -1.12 . . . . 0.0 110.09 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' ND1' ' HA ' ' A' ' 42' ' ' LEU . 76.5 m80 -60.71 -37.05 80.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.911 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.022 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.0 tt -65.59 -22.17 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.248 -0.907 . . . . 0.0 109.791 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 73.5 t80 -62.63 -34.85 77.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 0.0 109.995 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -66.14 -26.18 67.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.359 -0.838 . . . . 0.0 109.955 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.7 m -63.16 -34.96 78.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.331 -0.856 . . . . 0.0 109.999 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -66.53 -30.98 71.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.293 -0.879 . . . . 0.0 110.071 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.57 116.02 2.89 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.848 -1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 0.793 ' H1 ' ' CD1' ' A' ' 38' ' ' TRP . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 24.1 t80 -56.22 -47.97 97.81 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.26 -0.9 . . . . 0.0 110.627 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 38' ' ' TRP . 46.2 Cg_endo -68.54 140.67 48.26 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 O-C-N 123.702 1.369 . . . . 0.0 110.458 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.998 ' CD ' HD12 ' A' ' 39' ' ' LEU . 7.5 tpt180 -61.2 -17.95 55.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.407 -0.808 . . . . 0.0 110.601 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.36 -21.21 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.69 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.793 ' CD1' ' H1 ' ' A' ' 33' ' ' ACE . 68.1 m95 -72.73 -35.73 67.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 0.0 109.905 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.998 HD12 ' CD ' ' A' ' 36' ' ' ARG . 38.7 mt -69.21 -30.34 68.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.75 -38.28 87.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.379 -0.825 . . . . 0.0 109.968 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.36 -40.9 83.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.381 -0.824 . . . . 0.0 109.903 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -65.38 -33.29 75.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.974 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.43 -33.76 82.53 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.97 -35.94 78.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.242 -1.152 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.62 -38.23 90.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.265 -0.897 . . . . 0.0 109.98 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.5 mt -67.03 -31.73 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.0 110.002 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -62.21 -32.55 73.22 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.403 -0.811 . . . . 0.0 110.406 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.92 -24.13 63.33 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.347 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 m -64.49 -36.13 83.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 110.282 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -66.77 -32.18 73.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.163 -0.961 . . . . 0.0 110.229 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.75 156.62 0.07 OUTLIER Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.871 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.665 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -65.32 145.92 99.01 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -58.97 -15.16 26.06 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 O-C-N 124.037 1.546 . . . . 0.0 109.936 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 1.045 ' CD ' HD12 ' A' ' 39' ' ' LEU . 2.8 tpt180 -61.07 -27.7 68.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.866 . . . . 0.0 110.203 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.3 mt -51.19 -22.34 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.145 -0.972 . . . . 0.0 109.135 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -70.41 -36.48 74.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 0.0 109.623 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.045 HD12 ' CD ' ' A' ' 36' ' ' ARG . 42.9 mt -68.26 -31.18 70.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -61.71 -35.88 79.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.02 -32.18 70.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.0 109.9 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' ND1' ' A' ' 45' ' ' HIS . 14.2 tp -62.24 -33.93 75.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.416 -0.802 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.9 45.09 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.83 -32.26 69.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -1.096 . . . . 0.0 109.845 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.509 ' ND1' HD12 ' A' ' 42' ' ' LEU . 38.9 m80 -58.08 -36.24 72.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 109.582 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.87 -38.6 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.327 -0.858 . . . . 0.0 109.639 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -68.99 -28.98 67.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.611 -0.681 . . . . 0.0 109.78 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.29 -26.9 68.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.416 -0.802 . . . . 0.0 110.431 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.4 m -61.46 -35.52 77.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' GLY . 98.4 m-85 -67.11 -31.01 71.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.251 -0.906 . . . . 0.0 110.078 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' TYR . . . 44.04 36.77 4.03 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.831 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.767 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 3.8 m-85 -50.67 -46.68 86.01 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 110.816 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 47.2 Cg_endo -72.48 -16.27 27.46 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.854 1.45 . . . . 0.0 110.94 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.993 ' CD ' HD12 ' A' ' 39' ' ' LEU . 8.6 tpt180 -65.92 -29.8 70.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.93 -1.106 . . . . 0.0 109.884 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.565 HG23 ' HD1' ' A' ' 38' ' ' TRP . 17.1 tt -50.31 -23.27 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 109.232 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' HD1' HG23 ' A' ' 37' ' ' ILE . 47.1 m0 -65.93 -36.19 82.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.475 -0.766 . . . . 0.0 109.714 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.993 HD12 ' CD ' ' A' ' 36' ' ' ARG . 45.9 mt -68.5 -28.92 67.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.156 -0.965 . . . . 0.0 109.917 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -62.31 -34.1 75.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -54.91 -36.21 64.97 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 110.179 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.58 -33.05 72.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -0.869 . . . . 0.0 110.105 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.2 -30.42 57.86 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -61.75 -38.2 87.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -60.98 -37.53 82.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.256 -0.903 . . . . 0.0 109.918 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.638 HG22 ' HE2' ' A' ' 50' ' ' TYR . 98.2 mt -65.17 -33.82 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.829 . . . . 0.0 109.936 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 50' ' ' TYR . 69.0 t80 -61.5 -28.28 69.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.48 -0.763 . . . . 0.0 110.479 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.63 -27.78 62.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.341 -0.849 . . . . 0.0 110.438 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.2 p -64.52 -33.16 75.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.221 -0.924 . . . . 0.0 110.403 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.638 ' HE2' HG22 ' A' ' 46' ' ' ILE . 98.5 m-85 -63.48 -32.69 74.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.304 -0.873 . . . . 0.0 110.358 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.82 -89.52 0.55 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.845 -1.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -66.33 147.05 99.06 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.28 -0.887 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -59.34 -16.79 36.64 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 O-C-N 124.054 1.555 . . . . 0.0 110.641 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.963 ' CD ' HD12 ' A' ' 39' ' ' LEU . 22.5 tpt85 -64.53 -30.01 71.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.189 -0.944 . . . . 0.0 110.264 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.7 mt -52.78 -20.28 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.07 -1.019 . . . . 0.0 109.526 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -74.43 -31.99 62.49 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.377 -0.827 . . . . 0.0 110.092 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.963 HD12 ' CD ' ' A' ' 36' ' ' ARG . 63.5 mt -72.92 -28.53 62.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -32.38 73.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.799 . . . . 0.0 110.128 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -55.94 -32.51 63.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.32 -0.863 . . . . 0.0 110.033 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.0 mp -69.51 -30.27 68.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.359 -0.838 . . . . 0.0 110.232 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.98 -19.37 37.29 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.38 -32.82 74.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -1.111 . . . . 0.0 110.161 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -57.14 -32.95 66.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 0.0 109.778 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.792 HG22 ' HE2' ' A' ' 50' ' ' TYR . 95.0 mt -69.5 -34.23 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.072 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -61.46 -32.79 72.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.432 -0.793 . . . . 0.0 110.405 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.72 -27.42 64.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 0.0 110.364 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.8 m -63.87 -35.4 80.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 0.0 110.251 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.792 ' HE2' HG22 ' A' ' 46' ' ' ILE . 97.9 m-85 -67.47 -30.25 69.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 110.197 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.36 -40.97 0.17 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.858 -1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.779 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -65.84 144.24 98.78 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -61.16 -14.67 35.1 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 O-C-N 124.034 1.544 . . . . 0.0 110.477 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 1.028 ' CD ' HD12 ' A' ' 39' ' ' LEU . 28.3 tpt85 -63.25 -33.67 75.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.143 -0.973 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.7 mt -49.2 -23.47 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.017 -1.052 . . . . 0.0 109.018 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -69.68 -36.62 76.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.48 -0.762 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.028 HD12 ' CD ' ' A' ' 36' ' ' ARG . 51.9 mt -65.9 -29.69 70.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.79 -34.55 73.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.43 -0.794 . . . . 0.0 109.551 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.28 -32.3 72.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD12 ' ND1' ' A' ' 45' ' ' HIS . 19.5 tp -59.94 -33.63 72.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.763 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.96 -24.2 49.2 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.84 -35.04 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.365 -1.08 . . . . 0.0 109.983 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.47 ' ND1' HD12 ' A' ' 42' ' ' LEU . 37.7 m80 -57.46 -36.83 71.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.176 -0.952 . . . . 0.0 109.594 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.487 HG22 ' HE2' ' A' ' 50' ' ' TYR . 96.8 mt -63.93 -34.97 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.385 -0.822 . . . . 0.0 109.663 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.95 -32.81 73.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.481 -0.762 . . . . 0.0 110.221 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.86 -26.62 64.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.096 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.4 m -62.54 -35.57 79.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.324 -0.86 . . . . 0.0 110.125 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.487 ' HE2' HG22 ' A' ' 46' ' ' ILE . 99.1 m-85 -64.83 -32.66 74.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.29 -0.881 . . . . 0.0 110.14 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.12 45.51 3.53 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.885 -1.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 1.041 ' H3 ' ' CG ' ' A' ' 38' ' ' TRP . . . . . . . . 0 C--O 1.215 -0.72 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.561 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 2.2 t80 -43.44 -58.98 3.7 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 110.687 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 46.2 Cg_endo -57.65 147.58 78.82 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.749 1.394 . . . . 0.0 110.367 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.955 ' CD ' HD12 ' A' ' 39' ' ' LEU . 11.6 tpt180 -64.33 -27.03 68.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.18 -0.95 . . . . 0.0 110.461 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.4 mm -52.16 -21.57 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.165 -0.959 . . . . 0.0 109.329 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 1.041 ' CG ' ' H3 ' ' A' ' 33' ' ' ACE . 76.2 t-105 -71.49 -36.96 71.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.436 -0.79 . . . . 0.0 109.607 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.955 HD12 ' CD ' ' A' ' 36' ' ' ARG . 34.2 mt -66.19 -30.05 70.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.875 . . . . 0.0 109.607 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -64.35 -33.83 76.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.466 -0.771 . . . . 0.0 109.669 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.463 ' OD1' ' OE1' ' A' ' 44' ' ' GLN . 54.5 t30 -62.2 -31.17 71.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.855 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.81 -34.49 71.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.446 -0.784 . . . . 0.0 110.024 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.67 -34.9 61.17 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 94.8 mt-30 -62.33 -30.89 71.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.338 -1.096 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.63 -39.44 84.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.938 . . . . 0.0 109.619 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.96 -37.03 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.439 -0.788 . . . . 0.0 109.547 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -70.26 -28.93 65.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.544 -0.722 . . . . 0.0 109.928 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 98.9 mt-10 -66.34 -25.85 67.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 110.217 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.2 m -59.82 -34.07 72.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.162 -0.961 . . . . 0.0 110.017 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -70.5 -30.11 66.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 0.0 110.124 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.08 66.83 0.66 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.937 -1.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 1.023 ' CD ' HD12 ' A' ' 39' ' ' LEU . 10.9 tpt180 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.152 0.501 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.8 mt -51.18 -22.39 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.287 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.467 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 45.5 m0 -72.08 -35.78 69.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.573 -0.704 . . . . 0.0 109.878 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.023 HD12 ' CD ' ' A' ' 36' ' ' ARG . 53.2 mt -71.16 -32.91 69.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.809 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -60.8 -31.29 70.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.882 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -59.82 -31.8 70.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.89 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.99 -31.5 71.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 110.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 1.045 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -51.0 -34.98 31.88 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 98.1 mm-40 -62.07 -27.09 68.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.306 -1.114 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.16 -39.65 93.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.879 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.045 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.4 tt -63.84 -17.86 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 69.6 t80 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 110.189 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 1.071 ' CD ' HD12 ' A' ' 39' ' ' LEU . 7.7 tpt180 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.126 0.488 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.5 tt -50.9 -22.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 109.389 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -69.16 -37.6 78.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.712 . . . . 0.0 109.711 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.071 HD12 ' CD ' ' A' ' 36' ' ' ARG . 84.0 mt -68.32 -29.62 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.196 -0.94 . . . . 0.0 109.818 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -63.27 -37.38 87.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 0.0 109.946 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.77 -32.38 71.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HA ' ' ND1' ' A' ' 45' ' ' HIS . 27.0 tp -65.14 -31.72 73.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 110.199 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.72 92.07 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.18 -33.67 73.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -1.111 . . . . 0.0 110.088 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.445 ' ND1' ' HA ' ' A' ' 42' ' ' LEU . 78.8 m80 -59.29 -38.59 80.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.589 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -61.38 -37.38 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.444 -0.785 . . . . 0.0 109.632 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.696 -0.628 . . . . 0.0 110.262 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.791 ' NE ' HD23 ' A' ' 39' ' ' LEU . 10.0 tpt180 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.195 0.521 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.3 mm -51.11 -23.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.114 -0.991 . . . . 0.0 109.205 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -70.9 -35.25 72.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.434 -0.791 . . . . 0.0 109.474 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 42' ' ' LEU . 23.1 tp -66.8 -33.1 74.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.49 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.13 -38.12 85.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.475 -0.766 . . . . 0.0 109.522 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.46 -34.55 72.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.468 -0.77 . . . . 0.0 109.696 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 39' ' ' LEU . 55.6 mt -57.42 -37.52 72.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.548 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.9 -24.93 21.81 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -56.11 -34.17 65.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.465 -1.02 . . . . 0.0 109.452 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 42' ' ' LEU . 92.7 m-70 -59.51 -35.1 73.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 109.8 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.82 -41.04 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.977 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 0.0 109.919 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.839 ' NE ' HD23 ' A' ' 39' ' ' LEU . 11.4 tpt180 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 121.227 0.537 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.6 mt -51.01 -23.76 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.173 -0.954 . . . . 0.0 109.242 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -70.34 -33.66 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.497 -0.752 . . . . 0.0 109.518 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.839 HD23 ' NE ' ' A' ' 36' ' ' ARG . 27.6 tp -68.77 -34.66 75.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.74 -41.07 99.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.471 -0.768 . . . . 0.0 109.67 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.38 -32.15 73.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.418 -0.801 . . . . 0.0 109.768 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 42' ' ' LEU . 12.7 tp -63.85 -33.44 75.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.425 -0.797 . . . . 0.0 109.769 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.53 -34.68 69.92 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.57 -34.81 74.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -1.048 . . . . 0.0 109.794 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -58.9 -39.58 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.0 109.385 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.71 -36.86 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.372 -0.83 . . . . 0.0 109.503 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.506 -0.746 . . . . 0.0 109.935 179.782 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.69 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 10.3 tpt85 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.219 0.533 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.1 tt -48.9 -23.65 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.933 -1.105 . . . . 0.0 109.264 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -63.76 -37.54 87.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.558 -0.714 . . . . 0.0 109.898 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 36' ' ' ARG . 25.7 tp -66.51 -28.3 68.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.191 -0.943 . . . . 0.0 109.867 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.15 -31.15 71.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.408 -0.808 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -60.66 -38.26 84.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.377 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.24 -34.58 77.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.533 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 1.031 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -57.6 -34.07 68.74 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 92.9 mt-30 -61.35 -26.75 68.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -1.123 . . . . 0.0 110.34 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.77 -39.65 92.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.116 -0.99 . . . . 0.0 109.803 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.031 HG22 ' O ' ' A' ' 43' ' ' GLY . 6.8 tp -63.19 -19.17 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.996 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.447 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 68.0 t80 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 110.115 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.976 ' CD ' HD12 ' A' ' 39' ' ' LEU . 5.5 tpt180 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.199 0.523 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.437 HG23 ' H ' ' A' ' 37' ' ' ILE . 27.8 pt -51.08 -22.52 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -73.14 -35.87 66.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.976 HD12 ' CD ' ' A' ' 36' ' ' ARG . 46.3 mt -69.46 -33.81 73.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.93 . . . . 0.0 109.536 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -61.6 -33.24 73.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.653 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.47 -33.94 75.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.541 -0.725 . . . . 0.0 109.69 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.44 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 109.944 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.78 38.85 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.04 -34.46 73.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.271 -1.135 . . . . 0.0 109.976 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -58.7 -38.4 78.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.526 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 99.6 mt -61.57 -35.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.376 -0.828 . . . . 0.0 109.585 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.545 -0.722 . . . . 0.0 110.169 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.546 ' CD ' ' HB3' ' A' ' 39' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.293 0.568 . . . . 0.0 110.349 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 99.0 mt -51.0 -26.48 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.077 -1.014 . . . . 0.0 109.221 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -69.38 -30.94 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.494 -0.754 . . . . 0.0 109.37 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HB3' ' CD ' ' A' ' 36' ' ' ARG . 20.3 tp -70.03 -29.71 66.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.346 -0.846 . . . . 0.0 109.304 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -68.1 -37.12 80.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.569 -0.707 . . . . 0.0 109.949 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -67.4 -36.76 81.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.9 -36.52 83.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.83 -34.1 60.83 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -62.62 -32.72 73.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.259 -1.142 . . . . 0.0 110.151 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.96 -40.49 95.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.948 . . . . 0.0 109.912 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.66 -35.9 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 109.953 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 12.0 m-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.212 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 1.025 ' CD ' HD12 ' A' ' 39' ' ' LEU . 8.9 tpt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.065 0.46 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.408 ' H ' HG23 ' A' ' 37' ' ' ILE . 27.4 pt -49.29 -24.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 108.862 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -64.06 -39.09 93.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.549 -0.719 . . . . 0.0 109.527 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.025 HD12 ' CD ' ' A' ' 36' ' ' ARG . 88.7 mt -70.35 -30.14 67.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.95 -35.72 81.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.378 -0.826 . . . . 0.0 109.873 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.2 -39.48 63.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 109.74 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.15 -34.65 72.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 0.0 109.825 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.09 -29.45 68.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -58.8 -35.73 73.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.153 . . . . 0.0 109.8 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -59.69 -38.44 81.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.27 -0.894 . . . . 0.0 109.535 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.09 -34.23 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.459 -0.776 . . . . 0.0 109.74 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.8 t80 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.399 -0.813 . . . . 0.0 109.983 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.846 ' NE ' HD23 ' A' ' 39' ' ' LEU . 10.4 tpt180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.285 0.565 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.86 -23.75 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 108.946 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -69.19 -36.3 77.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 109.315 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.894 HD12 HD12 ' A' ' 42' ' ' LEU . 26.7 tp -65.14 -29.86 70.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.313 -0.867 . . . . 0.0 109.427 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.54 -33.21 74.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.745 . . . . 0.0 109.708 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.1 -33.31 75.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.894 HD12 HD12 ' A' ' 39' ' ' LEU . 44.1 mt -55.78 -37.31 68.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 0.0 109.924 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.56 -38.23 62.8 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.38 -29.05 67.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.379 -1.071 . . . . 0.0 109.977 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -60.99 -38.86 87.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.206 -0.934 . . . . 0.0 109.807 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.3 mm -63.17 -40.77 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.367 -0.833 . . . . 0.0 109.731 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.499 -0.751 . . . . 0.0 109.821 179.64 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 1.034 ' CD ' HD12 ' A' ' 39' ' ' LEU . 6.0 tpt180 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.109 0.48 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 37' ' ' ILE . 79.5 mt -50.84 -22.44 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 109.052 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -71.15 -36.35 72.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.557 -0.714 . . . . 0.0 109.774 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.034 HD12 ' CD ' ' A' ' 36' ' ' ARG . 47.0 mt -69.73 -29.12 66.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.252 -0.905 . . . . 0.0 109.873 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -67.42 -34.6 77.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.979 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.2 -34.19 74.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.835 . . . . 0.0 109.846 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.41 -33.18 74.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.866 . . . . 0.0 110.001 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -26.31 57.42 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.03 -37.38 84.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -1.129 . . . . 0.0 110.178 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -57.37 -36.51 71.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.662 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.34 -33.81 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.833 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.461 -0.774 . . . . 0.0 110.32 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 12.0 tpp85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.194 0.521 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.9 mt -48.06 -25.16 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.821 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 47.1 m0 -66.04 -34.41 78.01 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.537 -0.727 . . . . 0.0 109.138 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 42' ' ' LEU . 25.8 tp -67.13 -30.8 70.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.864 . . . . 0.0 109.212 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -70.29 -29.36 66.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.549 -0.72 . . . . 0.0 109.525 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -62.64 -31.99 72.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.459 -0.776 . . . . 0.0 110.049 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 42' ' ' LEU . 6.7 mp -68.79 -34.13 75.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 0.0 110.103 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.3 -33.07 73.89 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.23 -30.92 69.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -1.036 . . . . 0.0 109.957 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.31 -40.32 85.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.212 -0.93 . . . . 0.0 109.533 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.1 -38.45 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.384 -0.823 . . . . 0.0 109.52 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.608 -0.682 . . . . 0.0 109.758 179.597 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.754 ' NE ' HD23 ' A' ' 39' ' ' LEU . 13.1 tpt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.151 0.5 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.1 mm -54.44 -20.17 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 109.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -75.98 -33.11 59.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.998 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.754 HD23 ' NE ' ' A' ' 36' ' ' ARG . 23.5 tp -72.52 -31.92 65.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.721 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.81 -36.37 78.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.822 . . . . 0.0 110.039 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -58.86 -34.94 72.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.81 -34.06 76.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 1.06 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -59.92 -31.19 71.49 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.45 -27.77 68.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -1.126 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.78 -39.21 93.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.972 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.06 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.8 tt -65.14 -19.4 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 109.934 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.353 -0.842 . . . . 0.0 110.038 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.874 ' NE ' HD23 ' A' ' 39' ' ' LEU . 9.6 tpt180 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.202 0.525 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.3 mt -49.95 -25.38 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.206 -0.934 . . . . 0.0 108.812 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -67.71 -37.37 82.15 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.349 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 42' ' ' LEU . 32.0 tp -63.93 -34.02 77.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.458 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.4 -35.56 80.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.567 -0.708 . . . . 0.0 109.622 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -61.72 -34.73 76.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.455 -0.778 . . . . 0.0 109.736 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 39' ' ' LEU . 58.4 mt -58.33 -35.64 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 109.772 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.427 ' O ' ' CD2' ' A' ' 47' ' ' TYR . . . -55.01 -26.79 43.0 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.06 -34.27 68.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -1.103 . . . . 0.0 109.739 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -61.05 -35.61 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.401 -0.812 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.14 -40.26 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.228 -0.92 . . . . 0.0 110.136 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 43' ' ' GLY . 80.1 m-85 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.433 -0.792 . . . . 0.0 110.16 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.513 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 7.6 tpp180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.158 0.504 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.5 mt -49.6 -23.49 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.113 -0.992 . . . . 0.0 109.058 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.435 ' HA ' ' OD1' ' A' ' 41' ' ' ASN . 75.0 t90 -70.94 -32.53 69.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.527 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HB3' ' HD3' ' A' ' 36' ' ' ARG . 13.1 tp -71.55 -29.1 64.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.328 -0.858 . . . . 0.0 109.517 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.85 -29.71 65.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 109.695 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 26.9 m120 -61.78 -36.9 82.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.82 . . . . 0.0 110.054 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' ' ND1' ' A' ' 45' ' ' HIS . 23.8 tp -60.02 -36.75 77.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 1.022 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -62.28 -26.44 67.83 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 93.4 mt-30 -65.0 -28.38 69.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -1.12 . . . . 0.0 110.09 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' ND1' ' HA ' ' A' ' 42' ' ' LEU . 76.5 m80 -60.71 -37.05 80.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.911 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.022 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.0 tt -65.59 -22.17 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.248 -0.907 . . . . 0.0 109.791 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 73.5 t80 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 0.0 109.995 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.998 ' CD ' HD12 ' A' ' 39' ' ' LEU . 7.5 tpt180 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.093 0.473 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.36 -21.21 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.69 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -72.73 -35.73 67.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 0.0 109.905 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.998 HD12 ' CD ' ' A' ' 36' ' ' ARG . 38.7 mt -69.21 -30.34 68.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.75 -38.28 87.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.379 -0.825 . . . . 0.0 109.968 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.36 -40.9 83.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.381 -0.824 . . . . 0.0 109.903 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -65.38 -33.29 75.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.974 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.43 -33.76 82.53 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.97 -35.94 78.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.242 -1.152 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.62 -38.23 90.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.265 -0.897 . . . . 0.0 109.98 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.5 mt -67.03 -31.73 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.0 110.002 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 t80 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.403 -0.811 . . . . 0.0 110.406 -179.859 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 1.045 ' CD ' HD12 ' A' ' 39' ' ' LEU . 2.8 tpt180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.257 0.551 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.3 mt -51.19 -22.34 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.145 -0.972 . . . . 0.0 109.135 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -70.41 -36.48 74.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 0.0 109.623 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.045 HD12 ' CD ' ' A' ' 36' ' ' ARG . 42.9 mt -68.26 -31.18 70.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -61.71 -35.88 79.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.02 -32.18 70.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.0 109.9 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.709 HD12 ' CD2' ' A' ' 45' ' ' HIS . 14.2 tp -62.24 -33.93 75.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.416 -0.802 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.9 45.09 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.83 -32.26 69.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -1.096 . . . . 0.0 109.845 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.709 ' CD2' HD12 ' A' ' 42' ' ' LEU . 86.4 m-70 -58.08 -36.24 72.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 109.582 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.87 -38.6 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.327 -0.858 . . . . 0.0 109.639 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.611 -0.681 . . . . 0.0 109.78 179.656 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.993 ' CD ' HD12 ' A' ' 39' ' ' LEU . 8.6 tpt180 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.243 0.544 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.565 HG23 ' HD1' ' A' ' 38' ' ' TRP . 17.1 tt -50.31 -23.27 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 109.232 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' HD1' HG23 ' A' ' 37' ' ' ILE . 47.1 m0 -65.93 -36.19 82.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.475 -0.766 . . . . 0.0 109.714 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.993 HD12 ' CD ' ' A' ' 36' ' ' ARG . 45.9 mt -68.5 -28.92 67.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.156 -0.965 . . . . 0.0 109.917 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -62.31 -34.1 75.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -54.91 -36.21 64.97 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 110.179 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.58 -33.05 72.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -0.869 . . . . 0.0 110.105 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.2 -30.42 57.86 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -61.75 -38.2 87.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -60.98 -37.53 82.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.256 -0.903 . . . . 0.0 109.918 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.2 mt -65.17 -33.82 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.829 . . . . 0.0 109.936 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.48 -0.763 . . . . 0.0 110.479 -179.839 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.963 ' CD ' HD12 ' A' ' 39' ' ' LEU . 22.5 tpt85 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.176 0.513 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.7 mt -52.78 -20.28 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.07 -1.019 . . . . 0.0 109.526 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -74.43 -31.99 62.49 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.377 -0.827 . . . . 0.0 110.092 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.963 HD12 ' CD ' ' A' ' 36' ' ' ARG . 63.5 mt -72.92 -28.53 62.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -32.38 73.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.799 . . . . 0.0 110.128 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -55.94 -32.51 63.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.32 -0.863 . . . . 0.0 110.033 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.0 mp -69.51 -30.27 68.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.359 -0.838 . . . . 0.0 110.232 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.98 -19.37 37.29 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.38 -32.82 74.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -1.111 . . . . 0.0 110.161 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -57.14 -32.95 66.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 0.0 109.778 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.5 -34.23 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.072 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 t80 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.432 -0.793 . . . . 0.0 110.405 -179.798 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 1.028 ' CD ' HD12 ' A' ' 39' ' ' LEU . 28.3 tpt85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.336 0.588 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.7 mt -49.2 -23.47 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.017 -1.052 . . . . 0.0 109.018 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -69.68 -36.62 76.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.48 -0.762 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.028 HD12 ' CD ' ' A' ' 36' ' ' ARG . 51.9 mt -65.9 -29.69 70.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.79 -34.55 73.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.43 -0.794 . . . . 0.0 109.551 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.28 -32.3 72.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.747 HD12 ' HD2' ' A' ' 45' ' ' HIS . 19.5 tp -59.94 -33.63 72.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.763 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.96 -24.2 49.2 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.84 -35.04 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.365 -1.08 . . . . 0.0 109.983 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.747 ' HD2' HD12 ' A' ' 42' ' ' LEU . 81.5 m-70 -57.46 -36.83 71.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.176 -0.952 . . . . 0.0 109.594 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.93 -34.97 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.385 -0.822 . . . . 0.0 109.663 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.481 -0.762 . . . . 0.0 110.221 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.955 ' CD ' HD12 ' A' ' 39' ' ' LEU . 11.6 tpt180 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.149 0.5 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.4 mm -52.16 -21.57 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.165 -0.959 . . . . 0.0 109.329 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -71.49 -36.96 71.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.436 -0.79 . . . . 0.0 109.607 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.955 HD12 ' CD ' ' A' ' 36' ' ' ARG . 34.2 mt -66.19 -30.05 70.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.875 . . . . 0.0 109.607 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -64.35 -33.83 76.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.466 -0.771 . . . . 0.0 109.669 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.463 ' OD1' ' OE1' ' A' ' 44' ' ' GLN . 54.5 t30 -62.2 -31.17 71.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.855 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.81 -34.49 71.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.446 -0.784 . . . . 0.0 110.024 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.67 -34.9 61.17 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.463 ' OE1' ' OD1' ' A' ' 41' ' ' ASN . 94.8 mt-30 -62.33 -30.89 71.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.338 -1.096 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.63 -39.44 84.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.938 . . . . 0.0 109.619 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.96 -37.03 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.439 -0.788 . . . . 0.0 109.547 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.544 -0.722 . . . . 0.0 109.928 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.759 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.83 141.96 95.21 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -59.0 -15.3 26.91 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 O-C-N 123.937 1.493 . . . . 0.0 110.026 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 1.023 ' CD ' HD12 ' A' ' 39' ' ' LEU . 10.9 tpt180 -62.45 -26.23 68.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.329 -0.857 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.8 mt -51.18 -22.39 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.287 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.467 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 45.5 m0 -72.08 -35.78 69.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.573 -0.704 . . . . 0.0 109.878 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.023 HD12 ' CD ' ' A' ' 36' ' ' ARG . 53.2 mt -71.16 -32.91 69.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.809 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -60.8 -31.29 70.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.882 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -59.82 -31.8 70.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.89 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.99 -31.5 71.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 110.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 1.045 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -51.0 -34.98 31.88 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 98.1 mm-40 -62.07 -27.09 68.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.306 -1.114 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.16 -39.65 93.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.879 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.045 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.4 tt -63.84 -17.86 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 69.6 t80 -67.18 -28.97 68.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 110.189 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.01 -28.81 64.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.356 -0.84 . . . . 0.0 110.675 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 46' ' ' ILE . 58.4 p -65.8 -33.55 76.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.208 -0.932 . . . . 0.0 110.391 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.57 ' CE2' ' O ' ' A' ' 46' ' ' ILE . 97.4 m-85 -66.07 -32.45 73.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.256 -0.902 . . . . 0.0 110.283 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.19 -88.64 0.07 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.9 -1.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 20.9 p90 -65.54 143.31 98.62 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.257 -0.902 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HB2' HG22 ' A' ' 37' ' ' ILE . 46.2 Cg_endo -53.18 147.31 35.64 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 O-C-N 123.942 1.496 . . . . 0.0 110.292 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 1.071 ' CD ' HD12 ' A' ' 39' ' ' LEU . 7.7 tpt180 -59.46 -28.05 66.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.97 . . . . 0.0 110.287 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.415 HG22 ' HB2' ' A' ' 35' ' ' PRO . 18.5 tt -50.9 -22.71 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 109.389 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -69.16 -37.6 78.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.712 . . . . 0.0 109.711 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.071 HD12 ' CD ' ' A' ' 36' ' ' ARG . 84.0 mt -68.32 -29.62 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.196 -0.94 . . . . 0.0 109.818 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -63.27 -37.38 87.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 0.0 109.946 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.77 -32.38 71.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HA ' ' ND1' ' A' ' 45' ' ' HIS . 27.0 tp -65.14 -31.72 73.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 110.199 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.72 92.07 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.18 -33.67 73.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -1.111 . . . . 0.0 110.088 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.445 ' ND1' ' HA ' ' A' ' 42' ' ' LEU . 78.8 m80 -59.29 -38.59 80.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 109.589 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -61.38 -37.38 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.444 -0.785 . . . . 0.0 109.632 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.573 ' CZ ' ' OH ' ' A' ' 50' ' ' TYR . 65.0 t80 -63.26 -31.84 73.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.696 -0.628 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -80.0 -9.61 59.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 110.517 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.2 m -71.18 -44.28 65.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.909 . . . . 0.0 110.485 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' OH ' ' CZ ' ' A' ' 47' ' ' TYR . 4.2 p90 -80.66 -17.45 51.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 0.0 110.422 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.37 98.78 0.86 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.879 -1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -66.54 140.51 96.56 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -52.85 154.66 12.32 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 O-C-N 124.006 1.529 . . . . 0.0 110.143 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.791 ' NE ' HD23 ' A' ' 39' ' ' LEU . 10.0 tpt180 -65.48 -30.08 70.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.192 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.3 mm -51.11 -23.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.114 -0.991 . . . . 0.0 109.205 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -70.9 -35.25 72.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.434 -0.791 . . . . 0.0 109.474 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 42' ' ' LEU . 23.1 tp -66.8 -33.1 74.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.49 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.13 -38.12 85.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.475 -0.766 . . . . 0.0 109.522 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.46 -34.55 72.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.468 -0.77 . . . . 0.0 109.696 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 39' ' ' LEU . 55.6 mt -57.42 -37.52 72.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.548 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.9 -24.93 21.81 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 63.7 tt0 -56.11 -34.17 65.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.465 -1.02 . . . . 0.0 109.452 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 42' ' ' LEU . 92.7 m-70 -59.51 -35.1 73.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 109.8 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.82 -41.04 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.977 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -65.96 -30.66 71.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 0.0 109.919 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 99.2 mt-10 -67.91 -24.77 65.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.363 -0.836 . . . . 0.0 109.96 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.5 m -60.66 -35.3 75.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.395 -0.816 . . . . 0.0 109.946 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -65.93 -31.58 72.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 110.068 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.13 15.83 27.09 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.767 -2.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.753 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.98 140.2 98.03 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.293 -0.879 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -61.53 -14.1 33.35 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 124.016 1.535 . . . . 0.0 110.129 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.839 ' NE ' HD23 ' A' ' 39' ' ' LEU . 11.4 tpt180 -63.79 -28.91 70.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.207 -0.933 . . . . 0.0 110.243 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.6 mt -51.01 -23.76 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.173 -0.954 . . . . 0.0 109.242 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -70.34 -33.66 71.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.497 -0.752 . . . . 0.0 109.518 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.839 HD23 ' NE ' ' A' ' 36' ' ' ARG . 27.6 tp -68.77 -34.66 75.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.74 -41.07 99.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.471 -0.768 . . . . 0.0 109.67 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.38 -32.15 73.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.418 -0.801 . . . . 0.0 109.768 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 42' ' ' LEU . 12.7 tp -63.85 -33.44 75.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.425 -0.797 . . . . 0.0 109.769 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.53 -34.68 69.92 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.986 -1.645 . . . . 0.0 108.986 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.57 -34.81 74.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -1.048 . . . . 0.0 109.794 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -58.9 -39.58 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.0 109.385 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.71 -36.86 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.372 -0.83 . . . . 0.0 109.503 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.52 -33.43 74.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.506 -0.746 . . . . 0.0 109.935 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -69.58 -26.33 64.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 109.885 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.1 m -60.41 -34.38 73.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.871 . . . . 0.0 110.05 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -67.29 -30.46 70.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.313 -0.867 . . . . 0.0 110.081 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.16 7.45 37.87 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.834 -1.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 0.982 ' H3 ' ' CG ' ' A' ' 38' ' ' TRP . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.553 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 4.1 m-85 -45.57 -59.56 4.38 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.36 -0.837 . . . . 0.0 110.541 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 45.5 Cg_endo -58.57 146.97 89.18 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 O-C-N 123.718 1.378 . . . . 0.0 110.285 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.69 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 10.3 tpt85 -65.04 -30.8 71.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.184 -0.947 . . . . 0.0 110.407 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 35' ' ' PRO . 17.1 tt -48.9 -23.65 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.933 -1.105 . . . . 0.0 109.264 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.982 ' CG ' ' H3 ' ' A' ' 33' ' ' ACE . 75.6 t-105 -63.76 -37.54 87.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.558 -0.714 . . . . 0.0 109.898 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 36' ' ' ARG . 25.7 tp -66.51 -28.3 68.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.191 -0.943 . . . . 0.0 109.867 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.15 -31.15 71.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.408 -0.808 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -60.66 -38.26 84.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.377 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.24 -34.58 77.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.533 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 1.031 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -57.6 -34.07 68.74 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 92.9 mt-30 -61.35 -26.75 68.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -1.123 . . . . 0.0 110.34 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.77 -39.65 92.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.116 -0.99 . . . . 0.0 109.803 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.031 HG22 ' O ' ' A' ' 43' ' ' GLY . 6.8 tp -63.19 -19.17 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.996 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' O ' ' CE2' ' A' ' 50' ' ' TYR . 68.0 t80 -69.68 -33.5 72.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 110.115 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -80.06 -13.51 59.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.276 -0.89 . . . . 0.0 110.587 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 m -72.86 -43.54 62.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.743 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 47' ' ' TYR . 4.2 p90 -80.0 -21.21 43.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.116 -0.99 . . . . 0.0 110.515 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.37 -159.71 23.71 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.792 -2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 0.512 ' O ' ' HB3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.813 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 3.0 t80 -46.52 -48.31 47.67 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.037 -1.039 . . . . 0.0 110.795 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 45.6 Cg_endo -67.73 -5.5 14.48 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 O-C-N 123.634 1.334 . . . . 0.0 110.871 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.976 ' CD ' HD12 ' A' ' 39' ' ' LEU . 5.5 tpt180 -66.18 -28.67 68.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.035 -1.041 . . . . 0.0 110.031 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 34' ' ' PHE . 27.8 pt -51.08 -22.52 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -73.14 -35.87 66.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.976 HD12 ' CD ' ' A' ' 36' ' ' ARG . 46.3 mt -69.46 -33.81 73.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.93 . . . . 0.0 109.536 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -61.6 -33.24 73.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.653 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.47 -33.94 75.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.541 -0.725 . . . . 0.0 109.69 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.44 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.0 109.944 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.78 38.85 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.04 -34.46 73.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.271 -1.135 . . . . 0.0 109.976 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -58.7 -38.4 78.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.526 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.585 HG22 ' HE2' ' A' ' 50' ' ' TYR . 99.6 mt -61.57 -35.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.376 -0.828 . . . . 0.0 109.585 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -61.27 -32.61 72.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.545 -0.722 . . . . 0.0 110.169 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.61 -26.83 63.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.0 110.047 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.1 m -62.14 -36.21 81.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.36 -0.837 . . . . 0.0 110.14 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.585 ' HE2' HG22 ' A' ' 46' ' ' ILE . 96.2 m-85 -66.67 -31.23 71.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 0.0 110.179 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.25 -71.76 1.09 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.91 -1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.703 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.53 138.72 97.54 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.927 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -58.29 -18.46 37.92 Favored 'Trans proline' 0 C--N 1.303 -1.834 0 O-C-N 124.046 1.551 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.546 ' CD ' ' HB3' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -66.15 -27.53 68.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.199 -0.938 . . . . 0.0 110.349 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 99.0 mt -51.0 -26.48 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.077 -1.014 . . . . 0.0 109.221 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -69.38 -30.94 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.494 -0.754 . . . . 0.0 109.37 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HB3' ' CD ' ' A' ' 36' ' ' ARG . 20.3 tp -70.03 -29.71 66.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.346 -0.846 . . . . 0.0 109.304 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -68.1 -37.12 80.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.569 -0.707 . . . . 0.0 109.949 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -67.4 -36.76 81.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.9 -36.52 83.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.83 -34.1 60.83 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 93.5 mt-30 -62.62 -32.72 73.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.259 -1.142 . . . . 0.0 110.151 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.96 -40.49 95.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.948 . . . . 0.0 109.912 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.444 ' O ' ' OG1' ' A' ' 49' ' ' THR . 89.5 mt -63.66 -35.9 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 109.953 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.573 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 12.0 m-30 -65.74 -29.04 69.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.212 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 72.9 mm-40 -66.15 -14.81 62.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.357 -0.839 . . . . 0.0 110.595 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 46' ' ' ILE . 76.4 p -73.83 -42.53 60.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.114 -0.991 . . . . 0.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 7.1 p90 -87.47 -10.93 50.47 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.199 -0.938 . . . . 0.0 110.385 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.3 111.9 3.79 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.816 -1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.764 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 37' ' ' ILE . 66.2 m-85 -65.74 145.59 99.03 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.883 . . . . 0.0 110.125 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -58.05 -17.49 31.59 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 123.936 1.493 . . . . 0.0 110.55 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 1.025 ' CD ' HD12 ' A' ' 39' ' ' LEU . 8.9 tpt180 -64.49 -31.02 72.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.17 -0.956 . . . . 0.0 110.379 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 34' ' ' PHE . 27.4 pt -49.29 -24.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 108.862 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -64.06 -39.09 93.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.549 -0.719 . . . . 0.0 109.527 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.025 HD12 ' CD ' ' A' ' 36' ' ' ARG . 88.7 mt -70.35 -30.14 67.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.95 -35.72 81.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.378 -0.826 . . . . 0.0 109.873 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.2 -39.48 63.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 109.74 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.15 -34.65 72.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 0.0 109.825 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.09 -29.45 68.28 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -58.8 -35.73 73.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.153 . . . . 0.0 109.8 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -59.69 -38.44 81.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.27 -0.894 . . . . 0.0 109.535 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.09 -34.23 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.459 -0.776 . . . . 0.0 109.74 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.545 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 61.8 t80 -58.79 -33.63 70.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.399 -0.813 . . . . 0.0 109.983 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -79.8 -10.78 59.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -0.791 . . . . 0.0 110.239 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.4 m -76.17 -43.88 40.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 110.448 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.545 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 2.8 p90 -77.45 -25.01 50.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 0.0 110.391 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.1 -168.67 41.6 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 119.853 -1.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 0.498 ' O ' ' HB3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.764 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 t80 -45.11 -47.59 31.85 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.095 -1.003 . . . . 0.0 110.589 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 47.6 Cg_endo -72.26 -7.6 21.24 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.828 1.436 . . . . 0.0 110.956 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.846 ' NE ' HD23 ' A' ' 39' ' ' LEU . 10.4 tpt180 -63.84 -33.47 75.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.934 -1.104 . . . . 0.0 110.017 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.86 -23.75 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 108.946 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -69.19 -36.3 77.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 109.315 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.894 HD12 HD12 ' A' ' 42' ' ' LEU . 26.7 tp -65.14 -29.86 70.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.313 -0.867 . . . . 0.0 109.427 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.54 -33.21 74.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.745 . . . . 0.0 109.708 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.1 -33.31 75.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.894 HD12 HD12 ' A' ' 39' ' ' LEU . 44.1 mt -55.78 -37.31 68.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 0.0 109.924 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.56 -38.23 62.8 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.38 -29.05 67.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.379 -1.071 . . . . 0.0 109.977 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -60.99 -38.86 87.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.206 -0.934 . . . . 0.0 109.807 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.3 mm -63.17 -40.77 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.367 -0.833 . . . . 0.0 109.731 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -67.72 -29.67 68.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.499 -0.751 . . . . 0.0 109.821 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.25 -25.29 65.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.818 . . . . 0.0 110.199 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.1 m -59.33 -34.3 72.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.0 110.007 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -67.65 -29.95 69.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.371 -0.831 . . . . 0.0 110.091 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.25 -89.8 0.01 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.854 -1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.754 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.04 142.8 98.75 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.331 -0.856 . . . . 0.0 110.077 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -63.53 -16.95 57.76 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 O-C-N 123.993 1.523 . . . . 0.0 110.479 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 1.034 ' CD ' HD12 ' A' ' 39' ' ' LEU . 6.0 tpt180 -63.06 -30.33 71.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.134 -0.979 . . . . 0.0 110.227 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 37' ' ' ILE . 79.5 mt -50.84 -22.44 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 109.052 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -71.15 -36.35 72.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.557 -0.714 . . . . 0.0 109.774 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.034 HD12 ' CD ' ' A' ' 36' ' ' ARG . 47.0 mt -69.73 -29.12 66.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.252 -0.905 . . . . 0.0 109.873 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -67.42 -34.6 77.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.979 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.2 -34.19 74.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.835 . . . . 0.0 109.846 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.41 -33.18 74.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.866 . . . . 0.0 110.001 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -26.31 57.42 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.03 -37.38 84.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -1.129 . . . . 0.0 110.178 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -57.37 -36.51 71.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.662 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.34 -33.81 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.833 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.51 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 68.4 t80 -59.69 -31.85 69.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.461 -0.774 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.81 -20.89 61.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -0.904 . . . . 0.0 110.054 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.3 m -59.33 -24.66 63.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.883 . . . . 0.0 109.977 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.585 ' CD1' ' N ' ' A' ' 51' ' ' GLY . 0.5 OUTLIER -64.72 -24.83 67.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.585 ' N ' ' CD1' ' A' ' 50' ' ' TYR . . . -57.89 -55.82 28.51 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.809 -1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.754 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -65.91 134.41 95.08 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.28 -0.888 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -59.93 -15.14 31.27 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 O-C-N 124.079 1.568 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 12.0 tpp85 -62.51 -33.06 74.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.137 -0.977 . . . . 0.0 109.992 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.9 mt -48.06 -25.16 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.821 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 47.1 m0 -66.04 -34.41 78.01 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.537 -0.727 . . . . 0.0 109.138 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 42' ' ' LEU . 25.8 tp -67.13 -30.8 70.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.864 . . . . 0.0 109.212 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -70.29 -29.36 66.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.549 -0.72 . . . . 0.0 109.525 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -62.64 -31.99 72.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.459 -0.776 . . . . 0.0 110.049 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 42' ' ' LEU . 6.7 mp -68.79 -34.13 75.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 0.0 110.103 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.3 -33.07 73.89 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 92.8 mt-30 -60.23 -30.92 69.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -1.036 . . . . 0.0 109.957 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.31 -40.32 85.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.212 -0.93 . . . . 0.0 109.533 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.1 -38.45 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.384 -0.823 . . . . 0.0 109.52 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.576 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 88.2 m-85 -70.08 -29.2 66.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.608 -0.682 . . . . 0.0 109.758 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 74.0 mm-40 -70.24 -14.56 62.66 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.369 -0.832 . . . . 0.0 110.15 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.9 m -68.46 -41.63 79.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.877 . . . . 0.0 110.192 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 9.7 p90 -90.28 -11.92 39.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.116 -0.99 . . . . 0.0 110.077 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.71 94.08 1.71 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.874 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.589 ' HB2' ' CD1' ' A' ' 38' ' ' TRP . 9.8 p90 -64.03 144.74 98.17 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 38' ' ' TRP . 43.9 Cg_endo -49.95 157.81 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.911 1.479 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.754 ' NE ' HD23 ' A' ' 39' ' ' LEU . 13.1 tpt180 -64.53 -21.78 66.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.436 -0.79 . . . . 0.0 110.585 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.1 mm -54.44 -20.17 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.876 . . . . 0.0 109.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.589 ' CD1' ' HB2' ' A' ' 34' ' ' PHE . 90.1 m95 -75.98 -33.11 59.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.998 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.754 HD23 ' NE ' ' A' ' 36' ' ' ARG . 23.5 tp -72.52 -31.92 65.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.721 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.81 -36.37 78.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.822 . . . . 0.0 110.039 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -58.86 -34.94 72.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.81 -34.06 76.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 1.06 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -59.92 -31.19 71.49 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.45 -27.77 68.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -1.126 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.78 -39.21 93.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.972 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.06 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.8 tt -65.14 -19.4 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 109.934 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -64.7 -31.58 72.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.353 -0.842 . . . . 0.0 110.038 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.48 -28.35 66.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 0.0 109.946 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.6 m -62.19 -34.74 77.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.323 -0.861 . . . . 0.0 110.059 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -66.66 -31.37 72.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.263 -0.898 . . . . 0.0 110.068 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.62 -115.07 3.89 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 119.825 -1.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.715 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -67.24 142.86 97.16 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.919 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -49.45 150.53 8.14 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.966 1.509 . . . . 0.0 109.996 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.874 ' NE ' HD23 ' A' ' 39' ' ' LEU . 9.6 tpt180 -60.33 -32.13 70.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.094 -1.004 . . . . 0.0 109.98 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.3 mt -49.95 -25.38 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.206 -0.934 . . . . 0.0 108.812 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -67.71 -37.37 82.15 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.349 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 42' ' ' LEU . 32.0 tp -63.93 -34.02 77.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.458 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.4 -35.56 80.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.567 -0.708 . . . . 0.0 109.622 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -61.72 -34.73 76.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.455 -0.778 . . . . 0.0 109.736 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 39' ' ' LEU . 58.4 mt -58.33 -35.64 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 109.772 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.427 ' O ' ' CD2' ' A' ' 47' ' ' TYR . . . -55.01 -26.79 43.0 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.06 -34.27 68.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -1.103 . . . . 0.0 109.739 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -61.05 -35.61 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.401 -0.812 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.14 -40.26 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.228 -0.92 . . . . 0.0 110.136 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.573 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 80.1 m-85 -68.9 -29.28 67.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.433 -0.792 . . . . 0.0 110.16 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -69.08 -14.69 63.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.345 -0.847 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.8 m -73.25 -41.9 63.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 0.0 110.367 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 4.2 p90 -84.74 -17.05 39.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.96 . . . . 0.0 110.077 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.13 -142.43 5.97 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.867 -1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.702 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.22 140.63 97.97 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 110.175 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -59.06 -19.78 50.46 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.006 1.53 . . . . 0.0 110.484 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.513 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 7.6 tpp180 -63.79 -29.13 70.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.122 -0.987 . . . . 0.0 110.215 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.5 mt -49.6 -23.49 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.113 -0.992 . . . . 0.0 109.058 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.435 ' HA ' ' OD1' ' A' ' 41' ' ' ASN . 75.0 t90 -70.94 -32.53 69.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.527 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HB3' ' HD3' ' A' ' 36' ' ' ARG . 13.1 tp -71.55 -29.1 64.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.328 -0.858 . . . . 0.0 109.517 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.85 -29.71 65.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 109.695 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 26.9 m120 -61.78 -36.9 82.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.82 . . . . 0.0 110.054 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' ' ND1' ' A' ' 45' ' ' HIS . 23.8 tp -60.02 -36.75 77.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 1.022 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -62.28 -26.44 67.83 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 93.4 mt-30 -65.0 -28.38 69.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -1.12 . . . . 0.0 110.09 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' ND1' ' HA ' ' A' ' 42' ' ' LEU . 76.5 m80 -60.71 -37.05 80.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.911 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.022 HG22 ' O ' ' A' ' 43' ' ' GLY . 16.0 tt -65.59 -22.17 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.248 -0.907 . . . . 0.0 109.791 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 44' ' ' GLN . 73.5 t80 -62.63 -34.85 77.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 0.0 109.995 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -66.14 -26.18 67.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.359 -0.838 . . . . 0.0 109.955 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.7 m -63.16 -34.96 78.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.331 -0.856 . . . . 0.0 109.999 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -66.53 -30.98 71.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.293 -0.879 . . . . 0.0 110.071 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.57 116.02 2.89 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.848 -1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 0.793 ' H1 ' ' CD1' ' A' ' 38' ' ' TRP . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 24.1 t80 -56.22 -47.97 97.81 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.26 -0.9 . . . . 0.0 110.627 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 38' ' ' TRP . 46.2 Cg_endo -68.54 140.67 48.26 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 O-C-N 123.702 1.369 . . . . 0.0 110.458 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.998 ' CD ' HD12 ' A' ' 39' ' ' LEU . 7.5 tpt180 -61.2 -17.95 55.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.407 -0.808 . . . . 0.0 110.601 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.36 -21.21 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.69 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.793 ' CD1' ' H1 ' ' A' ' 33' ' ' ACE . 68.1 m95 -72.73 -35.73 67.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 0.0 109.905 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.998 HD12 ' CD ' ' A' ' 36' ' ' ARG . 38.7 mt -69.21 -30.34 68.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.75 -38.28 87.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.379 -0.825 . . . . 0.0 109.968 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.36 -40.9 83.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.381 -0.824 . . . . 0.0 109.903 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -65.38 -33.29 75.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.974 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.43 -33.76 82.53 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.97 -35.94 78.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.242 -1.152 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.62 -38.23 90.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.265 -0.897 . . . . 0.0 109.98 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.5 mt -67.03 -31.73 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.0 110.002 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -62.21 -32.55 73.22 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.403 -0.811 . . . . 0.0 110.406 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.92 -24.13 63.33 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.347 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 m -64.49 -36.13 83.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 110.282 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -66.77 -32.18 73.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.163 -0.961 . . . . 0.0 110.229 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.75 156.62 0.07 OUTLIER Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.871 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.665 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -65.32 145.92 99.01 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -58.97 -15.16 26.06 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 O-C-N 124.037 1.546 . . . . 0.0 109.936 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 1.045 ' CD ' HD12 ' A' ' 39' ' ' LEU . 2.8 tpt180 -61.07 -27.7 68.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.866 . . . . 0.0 110.203 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.3 mt -51.19 -22.34 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.145 -0.972 . . . . 0.0 109.135 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -70.41 -36.48 74.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 0.0 109.623 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.045 HD12 ' CD ' ' A' ' 36' ' ' ARG . 42.9 mt -68.26 -31.18 70.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -61.71 -35.88 79.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.02 -32.18 70.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.0 109.9 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.709 HD12 ' CD2' ' A' ' 45' ' ' HIS . 14.2 tp -62.24 -33.93 75.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.416 -0.802 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.9 45.09 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.83 -32.26 69.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -1.096 . . . . 0.0 109.845 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.709 ' CD2' HD12 ' A' ' 42' ' ' LEU . 86.4 m-70 -58.08 -36.24 72.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 109.582 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.87 -38.6 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.327 -0.858 . . . . 0.0 109.639 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -68.99 -28.98 67.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.611 -0.681 . . . . 0.0 109.78 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.29 -26.9 68.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.416 -0.802 . . . . 0.0 110.431 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.4 m -61.46 -35.52 77.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' GLY . 98.4 m-85 -67.11 -31.01 71.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.251 -0.906 . . . . 0.0 110.078 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' TYR . . . 44.04 36.77 4.03 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.831 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.767 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 3.8 m-85 -50.67 -46.68 86.01 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 110.816 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 47.2 Cg_endo -72.48 -16.27 27.46 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.854 1.45 . . . . 0.0 110.94 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.993 ' CD ' HD12 ' A' ' 39' ' ' LEU . 8.6 tpt180 -65.92 -29.8 70.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.93 -1.106 . . . . 0.0 109.884 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.565 HG23 ' HD1' ' A' ' 38' ' ' TRP . 17.1 tt -50.31 -23.27 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 109.232 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' HD1' HG23 ' A' ' 37' ' ' ILE . 47.1 m0 -65.93 -36.19 82.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.475 -0.766 . . . . 0.0 109.714 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.993 HD12 ' CD ' ' A' ' 36' ' ' ARG . 45.9 mt -68.5 -28.92 67.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.156 -0.965 . . . . 0.0 109.917 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -62.31 -34.1 75.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -54.91 -36.21 64.97 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 110.179 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.58 -33.05 72.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -0.869 . . . . 0.0 110.105 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.2 -30.42 57.86 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -61.75 -38.2 87.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 110.011 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -60.98 -37.53 82.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.256 -0.903 . . . . 0.0 109.918 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.638 HG22 ' HE2' ' A' ' 50' ' ' TYR . 98.2 mt -65.17 -33.82 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.829 . . . . 0.0 109.936 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 50' ' ' TYR . 69.0 t80 -61.5 -28.28 69.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.48 -0.763 . . . . 0.0 110.479 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.63 -27.78 62.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.341 -0.849 . . . . 0.0 110.438 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.2 p -64.52 -33.16 75.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.221 -0.924 . . . . 0.0 110.403 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.638 ' HE2' HG22 ' A' ' 46' ' ' ILE . 98.5 m-85 -63.48 -32.69 74.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.304 -0.873 . . . . 0.0 110.358 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.82 -89.52 0.55 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.845 -1.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -66.33 147.05 99.06 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.28 -0.887 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -59.34 -16.79 36.64 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 O-C-N 124.054 1.555 . . . . 0.0 110.641 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.963 ' CD ' HD12 ' A' ' 39' ' ' LEU . 22.5 tpt85 -64.53 -30.01 71.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.189 -0.944 . . . . 0.0 110.264 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.7 mt -52.78 -20.28 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.07 -1.019 . . . . 0.0 109.526 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -74.43 -31.99 62.49 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.377 -0.827 . . . . 0.0 110.092 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.963 HD12 ' CD ' ' A' ' 36' ' ' ARG . 63.5 mt -72.92 -28.53 62.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -32.38 73.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.799 . . . . 0.0 110.128 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -55.94 -32.51 63.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.32 -0.863 . . . . 0.0 110.033 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.0 mp -69.51 -30.27 68.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.359 -0.838 . . . . 0.0 110.232 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.98 -19.37 37.29 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.38 -32.82 74.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -1.111 . . . . 0.0 110.161 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -57.14 -32.95 66.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 0.0 109.778 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.792 HG22 ' HE2' ' A' ' 50' ' ' TYR . 95.0 mt -69.5 -34.23 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.072 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -61.46 -32.79 72.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.432 -0.793 . . . . 0.0 110.405 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.72 -27.42 64.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 0.0 110.364 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.8 m -63.87 -35.4 80.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 0.0 110.251 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.792 ' HE2' HG22 ' A' ' 46' ' ' ILE . 97.9 m-85 -67.47 -30.25 69.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 110.197 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.36 -40.97 0.17 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.858 -1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.779 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -65.84 144.24 98.78 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -61.16 -14.67 35.1 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 O-C-N 124.034 1.544 . . . . 0.0 110.477 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 1.028 ' CD ' HD12 ' A' ' 39' ' ' LEU . 28.3 tpt85 -63.25 -33.67 75.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.143 -0.973 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.7 mt -49.2 -23.47 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.017 -1.052 . . . . 0.0 109.018 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -69.68 -36.62 76.15 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.48 -0.762 . . . . 0.0 109.752 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.028 HD12 ' CD ' ' A' ' 36' ' ' ARG . 51.9 mt -65.9 -29.69 70.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.79 -34.55 73.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.43 -0.794 . . . . 0.0 109.551 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.28 -32.3 72.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.747 HD12 ' HD2' ' A' ' 45' ' ' HIS . 19.5 tp -59.94 -33.63 72.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.763 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.96 -24.2 49.2 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.84 -35.04 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.365 -1.08 . . . . 0.0 109.983 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.747 ' HD2' HD12 ' A' ' 42' ' ' LEU . 81.5 m-70 -57.46 -36.83 71.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.176 -0.952 . . . . 0.0 109.594 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.487 HG22 ' HE2' ' A' ' 50' ' ' TYR . 96.8 mt -63.93 -34.97 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.385 -0.822 . . . . 0.0 109.663 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.95 -32.81 73.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.481 -0.762 . . . . 0.0 110.221 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.86 -26.62 64.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.096 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.4 m -62.54 -35.57 79.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.324 -0.86 . . . . 0.0 110.125 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.487 ' HE2' HG22 ' A' ' 46' ' ' ILE . 99.1 m-85 -64.83 -32.66 74.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.29 -0.881 . . . . 0.0 110.14 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.12 45.51 3.53 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.885 -1.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 1.041 ' H3 ' ' CG ' ' A' ' 38' ' ' TRP . . . . . . . . 0 C--O 1.215 -0.72 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.561 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 2.2 t80 -43.44 -58.98 3.7 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 110.687 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 46.2 Cg_endo -57.65 147.58 78.82 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.749 1.394 . . . . 0.0 110.367 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.955 ' CD ' HD12 ' A' ' 39' ' ' LEU . 11.6 tpt180 -64.33 -27.03 68.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.18 -0.95 . . . . 0.0 110.461 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.4 mm -52.16 -21.57 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.165 -0.959 . . . . 0.0 109.329 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 1.041 ' CG ' ' H3 ' ' A' ' 33' ' ' ACE . 76.2 t-105 -71.49 -36.96 71.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.436 -0.79 . . . . 0.0 109.607 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.955 HD12 ' CD ' ' A' ' 36' ' ' ARG . 34.2 mt -66.19 -30.05 70.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.875 . . . . 0.0 109.607 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -64.35 -33.83 76.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.466 -0.771 . . . . 0.0 109.669 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.463 ' OD1' ' OE1' ' A' ' 44' ' ' GLN . 54.5 t30 -62.2 -31.17 71.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.855 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.81 -34.49 71.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.446 -0.784 . . . . 0.0 110.024 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.67 -34.9 61.17 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 94.8 mt-30 -62.33 -30.89 71.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.338 -1.096 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.63 -39.44 84.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.938 . . . . 0.0 109.619 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.96 -37.03 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.439 -0.788 . . . . 0.0 109.547 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -70.26 -28.93 65.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.544 -0.722 . . . . 0.0 109.928 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 98.9 mt-10 -66.34 -25.85 67.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 110.217 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.2 m -59.82 -34.07 72.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.162 -0.961 . . . . 0.0 110.017 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -70.5 -30.11 66.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 0.0 110.124 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.08 66.83 0.66 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.937 -1.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_