data_1nre_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 1nre _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 full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.776 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -112.63 124.97 53.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.657 -0.908 . . . . 0.0 111.244 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -98.88 -0.61 42.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.594 -0.691 . . . . 2.48 111.238 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.61 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 85.5 m-85 -123.55 162.08 23.64 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.169 -0.957 . . . . 1.62 110.509 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.49 ' NH2' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -82.43 -17.94 43.6 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.029 -1.044 . . . . 3.08 111.143 -179.632 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 8.9 mtm -111.87 136.56 51.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.498 -0.751 . . . . 1.13 111.163 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.672 ' HG3' ' HG3' ' A' ' 27' ' ' GLN . 12.0 tt0 -53.43 -36.03 61.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 122.0 -0.437 . . . . 1.81 110.491 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.554 ' HG3' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -57.11 -42.63 81.2 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.972 -1.08 . . . . 1.97 110.827 179.546 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 14.0 mt -72.86 -45.04 60.48 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.031 -1.043 . . . . 1.12 109.656 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -61.71 -50.99 70.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.419 -0.801 . . . . 0.89 108.877 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.672 ' HG3' ' HG3' ' A' ' 23' ' ' GLU . 14.8 mt-30 -57.13 -44.93 83.82 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.123 -0.695 . . . . 1.99 109.123 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -61.68 -52.19 65.32 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.203 -0.935 . . . . 2.0 109.415 178.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.503 ' HB2' HD11 ' A' ' 49' ' ' LEU . 22.0 t-105 -58.65 -57.22 13.95 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.78 -0.575 . . . . 0.43 110.227 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 39.3 mt-10 -56.95 -39.44 74.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.51 -0.744 . . . . 2.83 109.92 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 9.5 ttpt -62.85 -45.45 92.54 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.731 -1.231 . . . . 2.62 108.386 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.617 ' CB ' ' CD2' ' A' ' 45' ' ' LEU . . . -50.93 -46.5 60.9 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.405 -0.961 . . . . 1.11 108.405 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 63.7 mt-30 -58.4 -46.48 86.31 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.147 -1.057 . . . . 0.66 108.147 177.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -55.42 -35.53 65.49 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.708 -0.62 . . . . 4.49 110.763 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 1.5 mp -73.47 1.51 9.7 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.261 -0.899 . . . . 2.01 111.444 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 75.8 m-70 64.88 37.72 6.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.625 -0.672 . . . . 3.11 110.559 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.515 HD23 ' HD2' ' A' ' 41' ' ' ARG . 54.1 mt -65.19 152.15 92.27 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.838 -1.164 . . . . 1.26 109.623 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD2' ' HE ' ' A' ' 41' ' ' ARG . 42.6 Cg_endo -72.43 163.13 39.51 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 N-CA-C 108.615 -1.34 . . . . 0.77 108.615 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -59.56 -30.83 93.38 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.284 1.15 . . . . 0.72 111.228 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 41' ' ' ARG . 5.9 p -67.99 -48.14 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.975 -1.078 . . . . 1.39 110.372 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.515 ' HD2' HD23 ' A' ' 37' ' ' LEU . 6.8 mtm-85 -65.85 -36.02 82.29 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.239 -0.913 . . . . 2.89 109.266 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.86 -39.31 79.95 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.653 -0.869 . . . . 1.19 108.653 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.99 -53.3 40.64 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.155 -0.966 . . . . 1.19 108.612 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -56.5 -46.04 80.7 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.325 -0.991 . . . . 1.88 108.325 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.617 ' CD2' ' CB ' ' A' ' 32' ' ' ALA . 34.0 tp -56.57 -51.68 67.7 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.875 -0.516 . . . . 1.09 109.748 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 11.3 t-80 -53.12 -45.57 68.37 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.653 -0.819 . . . . 0.48 109.557 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 51' ' ' ILE . . . -57.19 -49.28 76.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.395 -0.816 . . . . 1.24 109.845 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.545 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . 1.6 m-20 -64.89 -36.9 85.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.524 -0.735 . . . . 1.71 109.995 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.513 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 82.6 mt -70.26 -34.42 72.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 1.08 108.687 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.61 ' HD2' ' CE2' ' A' ' 20' ' ' PHE . 23.8 mmmt -68.98 -50.65 47.12 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.169 -1.048 . . . . 1.76 108.169 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 47' ' ' ALA . 16.1 mm -58.09 -46.02 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 108.204 -1.036 . . . . 1.24 108.204 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.585 ' NE2' HD21 ' A' ' 77' ' ' LEU . 44.9 tp60 -62.38 -37.91 87.55 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.519 -0.738 . . . . 1.56 109.297 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.551 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 1.2 tt0 -62.94 -58.3 7.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.466 -0.771 . . . . 1.49 109.699 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.606 ' HA ' HD11 ' A' ' 57' ' ' LEU . 37.8 ttp180 -55.34 -48.72 73.78 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.161 -0.616 . . . . 3.55 109.825 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.553 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.63 -39.87 89.83 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.706 -0.798 . . . . 1.19 109.817 179.178 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.675 ' HG2' HD21 ' A' ' 77' ' ' LEU . 1.1 mt-10 -66.9 -40.73 87.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 1.72 111.137 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -71.68 -49.94 34.97 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.578 -1.327 . . . . 1.35 107.758 178.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 61' ' ' LYS . . . -56.07 -47.4 78.02 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.975 0.893 . . . . 1.18 109.303 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.643 ' CZ2' ' HG3' ' A' ' 63' ' ' LYS . 28.2 t90 -66.73 -39.7 88.08 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.375 -0.828 . . . . 0.39 109.561 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.54 ' HD3' ' O ' ' A' ' 56' ' ' GLU . 1.1 mtpp -54.49 -38.71 66.76 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.34 -1.355 . . . . 2.34 107.34 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -59.01 -46.24 88.68 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.029 -1.471 . . . . 3.13 107.029 175.413 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.65 ' HG ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -55.63 -56.34 21.48 Favored 'General case' 0 N--CA 1.505 2.28 0 CA-C-O 121.548 0.689 . . . . 1.87 110.307 177.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -59.21 -40.43 85.77 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.745 -0.597 . . . . 2.82 110.844 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 38.1 mt -71.08 -37.0 72.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.404 -0.81 . . . . 1.39 110.28 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -76.82 -25.32 53.1 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.434 -0.791 . . . . 1.39 111.002 179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.93 39.02 1.92 Allowed Glycine 0 N--CA 1.5 2.938 0 N-CA-C 109.575 -1.41 . . . . 0.6 109.575 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.65 ' CD1' ' HG ' ' A' ' 62' ' ' LEU . 7.6 mt -99.97 -38.4 8.61 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.432 -1.04 . . . . 1.79 110.628 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -101.81 54.21 0.81 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.474 -0.766 . . . . 1.71 111.059 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.87 -3.61 26.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.613 -0.679 . . . . 2.42 110.469 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.18 -6.04 9.93 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.095 -1.003 . . . . 2.29 112.249 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.439 ' O ' ' HB1' ' A' ' 75' ' ' ALA . . . 82.85 36.27 16.29 Favored Glycine 0 N--CA 1.499 2.853 0 N-CA-C 110.03 -1.228 . . . . 0.79 110.03 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.03 -48.17 5.23 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.508 -0.995 . . . . 2.67 109.735 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.5 ' HD2' HD23 ' A' ' 62' ' ' LEU . 7.4 mmtp -69.92 -39.93 75.87 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.176 -0.953 . . . . 2.82 109.399 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' HB2' ' CE2' ' A' ' 59' ' ' TRP . 20.0 tt0 -69.39 -26.05 64.45 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.619 -0.882 . . . . 1.99 108.619 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -53.54 -41.11 66.07 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.437 -0.949 . . . . 1.32 108.437 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 80' ' ' ASN . 1.7 ttm180 -62.71 -37.24 85.71 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.836 -0.746 . . . . 3.03 109.245 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.675 HD21 ' HG2' ' A' ' 56' ' ' GLU . 78.7 mt -70.46 -50.39 38.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.402 -0.811 . . . . 1.16 109.114 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.446 HD13 ' HG2' ' A' ' 74' ' ' GLU . 78.1 mt -57.9 -42.61 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.623 -0.673 . . . . 1.34 109.33 178.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -69.8 -48.34 59.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.466 -0.771 . . . . 3.45 109.596 178.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 1.9 m-20 -57.69 -41.82 82.4 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.113 -0.992 . . . . 1.29 109.546 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.516 ' CD2' ' HG2' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -62.97 -52.34 63.38 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.773 -1.195 . . . . 1.23 107.773 178.125 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.446 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 8.0 m-80 -52.91 -38.4 61.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.582 -0.699 . . . . 0.87 109.142 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 80' ' ' ASN . 10.6 t -63.64 -46.42 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.758 -0.83 . . . . 1.35 108.758 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.545 ' CG1' ' HB3' ' A' ' 48' ' ' ASP . 10.1 mt -63.18 -55.71 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.234 -1.024 . . . . 1.14 108.234 178.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.546 HD21 ' HB2' ' A' ' 90' ' ' LEU . 20.3 mt -55.25 -28.2 51.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.631 -0.668 . . . . 1.76 109.707 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -79.47 -28.58 41.54 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.108 -0.995 . . . . 1.36 109.939 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.506 ' HD3' ' OH ' ' A' ' 88' ' ' TYR . 13.9 tttt -81.68 -30.16 32.78 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.421 -0.799 . . . . 1.41 110.319 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.528 ' CE2' HD11 ' A' ' 45' ' ' LEU . 36.4 m-85 -115.5 -16.27 11.39 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.437 -0.789 . . . . 1.85 111.919 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 85' ' ' LEU . . . 63.69 44.22 96.7 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 108.171 -1.972 . . . . 0.85 108.171 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.546 ' HB2' HD21 ' A' ' 85' ' ' LEU . 4.5 mt -78.14 -54.83 5.81 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.516 -0.991 . . . . 1.29 111.072 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.423 ' H ' HD21 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -124.71 50.65 1.7 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.232 -0.918 . . . . 3.28 111.344 -178.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -151.27 -119.95 0.89 Allowed Glycine 0 N--CA 1.498 2.8 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.238 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.69 145.29 30.62 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.556 -0.967 . . . . 0.0 110.125 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.55 37.8 0.6 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.443 -0.786 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -116.36 -75.21 0.58 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.165 -0.96 . . . . 0.0 110.756 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.8 -52.83 0.75 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.042 -1.036 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 117.909 -1.043 . . . . 0.0 111.047 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.776 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -112.63 124.97 53.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.657 -0.908 . . . . 0.0 111.244 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' OE2' ' NE1' ' A' ' 29' ' ' TRP . 5.3 mt-10 -98.88 -0.61 42.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.594 -0.691 . . . . 2.48 111.238 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.631 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 85.5 m-85 -123.55 162.08 23.64 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.169 -0.957 . . . . 0.97 110.509 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' NH2' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -82.43 -17.94 43.6 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.029 -1.044 . . . . 2.43 111.143 -179.632 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.507 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 8.9 mtm -111.87 136.56 51.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.498 -0.751 . . . . 0.56 111.163 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.703 ' HG3' ' HG3' ' A' ' 27' ' ' GLN . 12.0 tt0 -53.43 -36.03 61.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 122.0 -0.437 . . . . 1.81 110.491 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HG3' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -57.11 -42.63 81.2 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.972 -1.08 . . . . 1.22 110.827 179.546 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 53' ' ' GLU . 14.0 mt -72.86 -45.04 60.48 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.031 -1.043 . . . . 0.47 109.656 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -61.71 -50.99 70.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.419 -0.801 . . . . 0.89 108.877 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.703 ' HG3' ' HG3' ' A' ' 23' ' ' GLU . 14.8 mt-30 -57.13 -44.93 83.82 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.123 -0.695 . . . . 1.58 109.123 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -61.68 -52.19 65.32 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.203 -0.935 . . . . 1.37 109.415 178.518 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.579 ' CZ3' HD23 ' A' ' 45' ' ' LEU . 22.0 t-105 -58.65 -57.22 13.95 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.78 -0.575 . . . . 0.39 110.227 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 39.3 mt-10 -56.95 -39.44 74.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.51 -0.744 . . . . 2.83 109.92 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 9.5 ttpt -62.85 -45.45 92.54 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.731 -1.231 . . . . 2.17 108.386 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.854 ' HB1' HD12 ' A' ' 37' ' ' LEU . . . -50.93 -46.5 60.9 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.405 -0.961 . . . . 0.53 108.405 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 33.2 mt-30 -58.4 -46.48 86.31 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.147 -1.057 . . . . 0.66 108.147 177.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -55.42 -35.53 65.49 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.708 -0.62 . . . . 3.86 110.763 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 1.5 mp -73.47 1.51 9.7 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.261 -0.899 . . . . 1.52 111.444 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 74.2 m80 64.88 37.72 6.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.625 -0.672 . . . . 2.41 110.559 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.854 HD12 ' HB1' ' A' ' 32' ' ' ALA . 54.1 mt -65.19 152.15 92.27 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.838 -1.164 . . . . 0.61 109.623 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.541 ' HD2' ' HE ' ' A' ' 41' ' ' ARG . 42.6 Cg_endo -72.43 163.13 39.51 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 N-CA-C 108.615 -1.34 . . . . 0.7 108.615 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -59.56 -30.83 93.38 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.284 1.15 . . . . 0.67 111.228 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 41' ' ' ARG . 5.9 p -67.99 -48.14 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.975 -1.078 . . . . 0.82 110.372 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.56 ' N ' HG13 ' A' ' 40' ' ' VAL . 6.8 mtm-85 -65.85 -36.02 82.29 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.239 -0.913 . . . . 2.49 109.266 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 37' ' ' LEU . 22.9 mt -68.86 -39.31 79.95 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.653 -0.869 . . . . 0.43 108.653 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.99 -53.3 40.64 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.155 -0.966 . . . . 0.52 108.612 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -56.5 -46.04 80.7 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.325 -0.991 . . . . 1.88 108.325 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.617 ' CD2' ' CB ' ' A' ' 32' ' ' ALA . 34.0 tp -56.57 -51.68 67.7 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.875 -0.516 . . . . 0.39 109.748 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 6.5 t60 -53.12 -45.57 68.37 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.653 -0.819 . . . . 0.41 109.557 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 51' ' ' ILE . . . -57.19 -49.28 76.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.395 -0.816 . . . . 0.53 109.845 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.563 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . 1.6 m-20 -64.89 -36.9 85.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.524 -0.735 . . . . 1.71 109.995 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.539 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 82.6 mt -70.26 -34.42 72.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 0.26 108.687 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.631 ' HD2' ' CE2' ' A' ' 20' ' ' PHE . 23.8 mmmt -68.98 -50.65 47.12 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.169 -1.048 . . . . 1.14 108.169 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 47' ' ' ALA . 16.1 mm -58.09 -46.02 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 108.204 -1.036 . . . . 0.61 108.204 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.525 ' HG2' ' CD2' ' A' ' 81' ' ' LEU . 6.5 tp-100 -62.38 -37.91 87.55 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.519 -0.738 . . . . 1.56 109.297 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.696 ' HA ' HD11 ' A' ' 25' ' ' LEU . 1.2 tt0 -62.94 -58.3 7.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.466 -0.771 . . . . 1.49 109.699 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.761 ' HA ' HD12 ' A' ' 57' ' ' LEU . 37.8 ttp180 -55.34 -48.72 73.78 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.161 -0.616 . . . . 2.89 109.825 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.79 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.63 -39.87 89.83 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.706 -0.798 . . . . 1.19 109.817 179.178 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.871 ' HG2' HD22 ' A' ' 77' ' ' LEU . 1.1 mt-10 -66.9 -40.73 87.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 1.72 111.137 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -71.68 -49.94 34.97 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.578 -1.327 . . . . 0.75 107.758 178.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 61' ' ' LYS . . . -56.07 -47.4 78.02 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.975 0.893 . . . . 0.53 109.303 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.646 ' CZ2' ' HG3' ' A' ' 63' ' ' LYS . 28.2 t90 -66.73 -39.7 88.08 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.375 -0.828 . . . . 0.38 109.561 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 56' ' ' GLU . 1.1 mtpp -54.49 -38.71 66.76 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.34 -1.355 . . . . 1.81 107.34 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -59.01 -46.24 88.68 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.029 -1.471 . . . . 2.61 107.029 175.413 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.137 ' HG ' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -55.63 -56.34 21.48 Favored 'General case' 0 N--CA 1.505 2.28 0 CA-C-O 121.548 0.689 . . . . 1.26 110.307 177.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.646 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -59.21 -40.43 85.77 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.745 -0.597 . . . . 2.31 110.844 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 38.1 mt -71.08 -37.0 72.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.404 -0.81 . . . . 0.78 110.28 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -76.82 -25.32 53.1 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.434 -0.791 . . . . 1.39 111.002 179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.406 ' C ' HD23 ' A' ' 67' ' ' LEU . . . 107.93 39.02 1.92 Allowed Glycine 0 N--CA 1.5 2.938 0 N-CA-C 109.575 -1.41 . . . . 0.49 109.575 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.137 HD12 ' HG ' ' A' ' 62' ' ' LEU . 7.6 mt -99.97 -38.4 8.61 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.432 -1.04 . . . . 1.23 110.628 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -101.81 54.21 0.81 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.474 -0.766 . . . . 1.71 111.059 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.87 -3.61 26.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.613 -0.679 . . . . 2.42 110.469 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.18 -6.04 9.93 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.095 -1.003 . . . . 2.29 112.249 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 82.85 36.27 16.29 Favored Glycine 0 N--CA 1.499 2.853 0 N-CA-C 110.03 -1.228 . . . . 0.7 110.03 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -98.03 -48.17 5.23 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.508 -0.995 . . . . 2.67 109.735 179.097 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -69.92 -39.93 75.87 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.176 -0.953 . . . . 2.28 109.399 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HA ' HD12 ' A' ' 77' ' ' LEU . 20.0 tt0 -69.39 -26.05 64.45 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.619 -0.882 . . . . 1.99 108.619 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -53.54 -41.11 66.07 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.437 -0.949 . . . . 0.64 108.437 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 80' ' ' ASN . 1.7 ttm180 -62.71 -37.24 85.71 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.836 -0.746 . . . . 2.43 109.245 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.871 HD22 ' HG2' ' A' ' 56' ' ' GLU . 78.7 mt -70.46 -50.39 38.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.402 -0.811 . . . . 0.42 109.114 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.9 -42.61 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.623 -0.673 . . . . 0.76 109.33 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -69.8 -48.34 59.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.466 -0.771 . . . . 2.85 109.596 178.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 1.9 m-20 -57.69 -41.82 82.4 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.113 -0.992 . . . . 1.29 109.546 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' CD2' ' HG2' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -62.97 -52.34 63.38 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.773 -1.195 . . . . 0.73 107.773 178.125 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -52.91 -38.4 61.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.582 -0.699 . . . . 0.87 109.142 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 80' ' ' ASN . 10.6 t -63.64 -46.42 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.758 -0.83 . . . . 0.67 108.758 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.563 ' CG1' ' HB3' ' A' ' 48' ' ' ASP . 10.1 mt -63.18 -55.71 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.234 -1.024 . . . . 0.57 108.234 178.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 28' ' ' LEU . 20.3 mt -55.25 -28.2 51.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.631 -0.668 . . . . 1.17 109.707 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.47 -28.58 41.54 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.108 -0.995 . . . . 0.87 109.939 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.532 ' HD3' ' OH ' ' A' ' 88' ' ' TYR . 13.9 tttt -81.68 -30.16 32.78 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.421 -0.799 . . . . 0.86 110.319 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.532 ' OH ' ' HD3' ' A' ' 87' ' ' LYS . 36.4 m-85 -115.5 -16.27 11.39 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.437 -0.789 . . . . 1.14 111.919 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.69 44.22 96.7 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 108.171 -1.972 . . . . 0.8 108.171 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.518 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 4.5 mt -78.14 -54.83 5.81 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.516 -0.991 . . . . 0.89 111.072 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.444 ' H ' HD22 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -124.71 50.65 1.7 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.232 -0.918 . . . . 3.28 111.344 -178.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -151.27 -119.95 0.89 Allowed Glycine 0 N--CA 1.498 2.8 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.238 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.69 145.29 30.62 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.556 -0.967 . . . . 0.0 110.125 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.55 37.8 0.6 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.443 -0.786 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -116.36 -75.21 0.58 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.165 -0.96 . . . . 0.0 110.756 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.8 -52.83 0.75 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.042 -1.036 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 117.909 -1.043 . . . . 0.0 111.047 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.776 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -112.63 124.97 53.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.657 -0.908 . . . . 0.0 111.244 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' OE2' ' NE1' ' A' ' 29' ' ' TRP . 5.3 mt-10 -98.88 -0.61 42.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.594 -0.691 . . . . 2.48 111.238 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.631 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 85.5 m-85 -123.55 162.08 23.64 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.169 -0.957 . . . . 0.97 110.509 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' NH2' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -82.43 -17.94 43.6 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.029 -1.044 . . . . 2.43 111.143 -179.632 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.507 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 8.9 mtm -111.87 136.56 51.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.498 -0.751 . . . . 0.56 111.163 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.703 ' HG3' ' HG3' ' A' ' 27' ' ' GLN . 12.0 tt0 -53.43 -36.03 61.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 122.0 -0.437 . . . . 1.81 110.491 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HG3' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -57.11 -42.63 81.2 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.972 -1.08 . . . . 1.22 110.827 179.546 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 53' ' ' GLU . 14.0 mt -72.86 -45.04 60.48 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.031 -1.043 . . . . 0.47 109.656 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -61.71 -50.99 70.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.419 -0.801 . . . . 0.89 108.877 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.703 ' HG3' ' HG3' ' A' ' 23' ' ' GLU . 14.8 mt-30 -57.13 -44.93 83.82 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.123 -0.695 . . . . 1.58 109.123 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -61.68 -52.19 65.32 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.203 -0.935 . . . . 1.37 109.415 178.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.579 ' CZ3' HD23 ' A' ' 45' ' ' LEU . 22.0 t-105 -58.65 -57.22 13.95 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.78 -0.575 . . . . 0.39 110.227 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 39.3 mt-10 -56.95 -39.44 74.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.51 -0.744 . . . . 2.83 109.92 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 9.5 ttpt -62.85 -45.45 92.54 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.731 -1.231 . . . . 2.17 108.386 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.854 ' HB1' HD12 ' A' ' 37' ' ' LEU . . . -50.93 -46.5 60.9 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.405 -0.961 . . . . 0.53 108.405 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 63.7 mt-30 -58.4 -46.48 86.31 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.147 -1.057 . . . . 0.66 108.147 177.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -55.42 -35.53 65.49 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.708 -0.62 . . . . 3.86 110.763 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 1.5 mp -73.47 1.51 9.7 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.261 -0.899 . . . . 1.52 111.444 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 75.8 m-70 64.88 37.72 6.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.625 -0.672 . . . . 2.41 110.559 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.854 HD12 ' HB1' ' A' ' 32' ' ' ALA . 54.1 mt -65.19 152.15 92.27 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.838 -1.164 . . . . 0.61 109.623 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.541 ' HD2' ' HE ' ' A' ' 41' ' ' ARG . 42.6 Cg_endo -72.43 163.13 39.51 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 N-CA-C 108.615 -1.34 . . . . 0.7 108.615 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -59.56 -30.83 93.38 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.284 1.15 . . . . 0.67 111.228 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 41' ' ' ARG . 5.9 p -67.99 -48.14 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.975 -1.078 . . . . 0.82 110.372 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.56 ' N ' HG13 ' A' ' 40' ' ' VAL . 6.8 mtm-85 -65.85 -36.02 82.29 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.239 -0.913 . . . . 2.49 109.266 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 37' ' ' LEU . 22.9 mt -68.86 -39.31 79.95 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.653 -0.869 . . . . 0.43 108.653 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.99 -53.3 40.64 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.155 -0.966 . . . . 0.52 108.612 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -56.5 -46.04 80.7 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.325 -0.991 . . . . 1.88 108.325 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.617 ' CD2' ' CB ' ' A' ' 32' ' ' ALA . 34.0 tp -56.57 -51.68 67.7 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.875 -0.516 . . . . 0.39 109.748 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 11.3 t-80 -53.12 -45.57 68.37 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.653 -0.819 . . . . 0.41 109.557 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 51' ' ' ILE . . . -57.19 -49.28 76.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.395 -0.816 . . . . 0.53 109.845 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.563 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . 1.6 m-20 -64.89 -36.9 85.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.524 -0.735 . . . . 1.71 109.995 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.539 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 82.6 mt -70.26 -34.42 72.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 0.26 108.687 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.631 ' HD2' ' CE2' ' A' ' 20' ' ' PHE . 23.8 mmmt -68.98 -50.65 47.12 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.169 -1.048 . . . . 1.14 108.169 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 47' ' ' ALA . 16.1 mm -58.09 -46.02 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 108.204 -1.036 . . . . 0.61 108.204 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.525 ' HG2' ' CD2' ' A' ' 81' ' ' LEU . 44.9 tp60 -62.38 -37.91 87.55 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.519 -0.738 . . . . 1.56 109.297 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.696 ' HA ' HD11 ' A' ' 25' ' ' LEU . 1.2 tt0 -62.94 -58.3 7.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.466 -0.771 . . . . 1.49 109.699 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.761 ' HA ' HD12 ' A' ' 57' ' ' LEU . 37.8 ttp180 -55.34 -48.72 73.78 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.161 -0.616 . . . . 2.89 109.825 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.79 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.63 -39.87 89.83 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.706 -0.798 . . . . 1.19 109.817 179.178 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.871 ' HG2' HD22 ' A' ' 77' ' ' LEU . 1.1 mt-10 -66.9 -40.73 87.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 1.72 111.137 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -71.68 -49.94 34.97 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.578 -1.327 . . . . 0.75 107.758 178.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 61' ' ' LYS . . . -56.07 -47.4 78.02 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.975 0.893 . . . . 0.53 109.303 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.646 ' CZ2' ' HG3' ' A' ' 63' ' ' LYS . 28.2 t90 -66.73 -39.7 88.08 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.375 -0.828 . . . . 0.38 109.561 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 56' ' ' GLU . 1.1 mtpp -54.49 -38.71 66.76 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.34 -1.355 . . . . 1.81 107.34 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -59.01 -46.24 88.68 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.029 -1.471 . . . . 2.61 107.029 175.413 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.137 ' HG ' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -55.63 -56.34 21.48 Favored 'General case' 0 N--CA 1.505 2.28 0 CA-C-O 121.548 0.689 . . . . 1.26 110.307 177.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.646 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -59.21 -40.43 85.77 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.745 -0.597 . . . . 2.31 110.844 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 38.1 mt -71.08 -37.0 72.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.404 -0.81 . . . . 0.78 110.28 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -76.82 -25.32 53.1 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.434 -0.791 . . . . 1.39 111.002 179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.406 ' C ' HD23 ' A' ' 67' ' ' LEU . . . 107.93 39.02 1.92 Allowed Glycine 0 N--CA 1.5 2.938 0 N-CA-C 109.575 -1.41 . . . . 0.49 109.575 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.137 HD12 ' HG ' ' A' ' 62' ' ' LEU . 7.6 mt -99.97 -38.4 8.61 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.432 -1.04 . . . . 1.23 110.628 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -101.81 54.21 0.81 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.474 -0.766 . . . . 1.71 111.059 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.87 -3.61 26.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.613 -0.679 . . . . 2.42 110.469 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.18 -6.04 9.93 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.095 -1.003 . . . . 2.29 112.249 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 82.85 36.27 16.29 Favored Glycine 0 N--CA 1.499 2.853 0 N-CA-C 110.03 -1.228 . . . . 0.7 110.03 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -98.03 -48.17 5.23 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.508 -0.995 . . . . 2.67 109.735 179.097 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -69.92 -39.93 75.87 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.176 -0.953 . . . . 2.28 109.399 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HA ' HD12 ' A' ' 77' ' ' LEU . 20.0 tt0 -69.39 -26.05 64.45 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.619 -0.882 . . . . 1.99 108.619 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -53.54 -41.11 66.07 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.437 -0.949 . . . . 0.64 108.437 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 80' ' ' ASN . 1.7 ttm180 -62.71 -37.24 85.71 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.836 -0.746 . . . . 2.43 109.245 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.871 HD22 ' HG2' ' A' ' 56' ' ' GLU . 78.7 mt -70.46 -50.39 38.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.402 -0.811 . . . . 0.42 109.114 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.9 -42.61 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.623 -0.673 . . . . 0.76 109.33 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -69.8 -48.34 59.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.466 -0.771 . . . . 2.85 109.596 178.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 1.9 m-20 -57.69 -41.82 82.4 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.113 -0.992 . . . . 1.29 109.546 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' CD2' ' HG2' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -62.97 -52.34 63.38 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.773 -1.195 . . . . 0.73 107.773 178.125 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -52.91 -38.4 61.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.582 -0.699 . . . . 0.87 109.142 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 80' ' ' ASN . 10.6 t -63.64 -46.42 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.758 -0.83 . . . . 0.67 108.758 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.563 ' CG1' ' HB3' ' A' ' 48' ' ' ASP . 10.1 mt -63.18 -55.71 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.234 -1.024 . . . . 0.57 108.234 178.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 28' ' ' LEU . 20.3 mt -55.25 -28.2 51.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.631 -0.668 . . . . 1.17 109.707 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.47 -28.58 41.54 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.108 -0.995 . . . . 0.87 109.939 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.532 ' HD3' ' OH ' ' A' ' 88' ' ' TYR . 13.9 tttt -81.68 -30.16 32.78 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.421 -0.799 . . . . 0.86 110.319 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.532 ' OH ' ' HD3' ' A' ' 87' ' ' LYS . 36.4 m-85 -115.5 -16.27 11.39 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.437 -0.789 . . . . 1.14 111.919 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.69 44.22 96.7 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 108.171 -1.972 . . . . 0.8 108.171 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.518 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 4.5 mt -78.14 -54.83 5.81 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.516 -0.991 . . . . 0.89 111.072 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.444 ' H ' HD22 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -124.71 50.65 1.7 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.232 -0.918 . . . . 3.28 111.344 -178.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -151.27 -119.95 0.89 Allowed Glycine 0 N--CA 1.498 2.8 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.238 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.69 145.29 30.62 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.556 -0.967 . . . . 0.0 110.125 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.55 37.8 0.6 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.443 -0.786 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -116.36 -75.21 0.58 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.165 -0.96 . . . . 0.0 110.756 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.8 -52.83 0.75 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.042 -1.036 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 117.909 -1.043 . . . . 0.0 111.047 -179.736 . . . . . . . . 1 1 . 1 stop_ save_