data_2a2b_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 2a2b _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -51.97 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.67 -54.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -42.33 -35.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.65 -41.49 50.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.9 t90 -58.18 -55.27 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . . . -60.68 -37.25 80.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.05 -55.93 8.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 4.3 pp -58.04 -49.0 78.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.02 -33.06 73.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -78.49 61.14 3.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.1 tmm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.936 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.61 -50.53 73.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.63 -54.45 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 t -43.34 -36.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.45 58.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.5 t90 -59.21 -57.9 11.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.45 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -37.78 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.65 -48.5 28.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.09 -50.62 72.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.89 68.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.54 73.39 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.718 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.05 -51.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.64 -54.42 22.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.615 1.197 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.2 t -44.83 -35.86 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 -36.54 40.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.5 t90 -61.8 -58.76 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 39' ' ' ALA . . . -59.9 -41.16 91.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 29.1 t -62.12 -34.03 75.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.17 -55.79 8.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.66 -51.03 62.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 35' ' ' ALA . . . -67.28 -29.35 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -39.27 -39.34 1.04 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.0 ttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.031 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -52.02 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.386 0.698 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.56 -54.53 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t -41.74 -35.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.65 -42.47 39.63 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.4 t90 -58.77 -55.42 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 39' ' ' ALA . . . -60.46 -37.58 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -34.06 77.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.35 -55.95 8.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.64 -50.47 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 35' ' ' ALA . . . -66.39 -28.79 68.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.61 -38.21 2.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -61.38 -51.91 66.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.2 tt -54.69 -54.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.42 -35.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.47 -40.31 33.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.427 1.079 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.0 t90 -61.05 -56.94 15.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.76 86.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -57.9 -37.28 73.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.77 -51.35 20.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mt -58.16 -50.55 73.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.92 67.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.21 60.12 3.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.733 . . . . 0.0 110.943 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -51.79 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.57 -54.5 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t -42.23 -35.5 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.06 -42.43 51.58 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.7 t90 -55.49 -50.98 68.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.04 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -65.42 -34.22 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.02 -49.41 13.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mt -55.82 -50.99 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 0.714 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.29 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.12 62.06 2.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.73 -35.83 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 tt -54.42 -54.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.96 -44.2 9.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.9 -41.18 98.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -56.51 -55.13 37.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.42 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -36.44 76.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.97 -45.9 24.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.577 1.173 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.87 -51.02 71.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.8 66.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.7 71.62 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.417 0.716 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.36 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.736 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.64 -54.38 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -42.83 -36.0 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.14 -40.48 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.79 -56.72 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.93 -38.06 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -36.44 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.84 -46.84 21.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.66 -51.07 70.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.248 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -26.91 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.6 62.21 3.87 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.6 mtp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.455 0.738 . . . . 0.0 110.967 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmm -60.95 -49.7 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' TRP . 9.0 tt -54.44 -55.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -36.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.64 -40.38 66.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.5 t90 -57.26 -51.28 69.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 -35.67 81.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -35.9 78.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.99 17.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.61 -50.86 70.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.22 67.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.84 65.43 2.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 mmt -64.13 -49.57 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 0.732 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.2 tt -54.59 -54.39 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.11 -37.19 1.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.027 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.68 -39.52 66.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.2 t90 -58.19 -53.85 53.64 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . . . -61.43 -36.73 81.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -68.65 -34.11 75.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.933 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.86 -54.56 21.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.428 1.08 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 4.2 pp -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.96 71.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 73.95 0.51 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.7 mmt -58.01 -50.51 73.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 111.045 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' TRP . 9.1 tt -54.58 -55.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.05 -36.19 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.073 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.47 54.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.63 -57.8 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.75 77.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -37.28 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.34 -49.68 24.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -57.79 -51.01 71.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.74 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.374 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.07 59.12 3.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.369 1.043 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.0 mtt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.0 mmt -56.56 -51.81 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.58 -54.53 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.59 -36.02 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.046 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.13 -35.83 52.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.6 t90 -60.78 -58.16 9.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.18 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 m -62.1 -34.37 76.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.57 -55.01 12.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.92 -48.82 75.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.66 -30.63 70.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -69.88 73.03 0.52 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mmt -60.74 -51.78 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 111.064 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.64 -54.5 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.7 t -43.29 -35.72 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -73.81 -39.04 48.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.61 -58.2 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . . . -58.95 -39.19 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 t -66.12 -33.97 77.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -68.78 -55.92 10.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 4.2 pp -55.69 -50.48 70.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' N ' ' CD1' ' A' ' 38' ' ' LEU . . . -68.06 -29.29 68.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.9 66.0 3.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.9 mmm -57.48 -51.36 69.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.6 -54.46 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 t -42.06 -35.23 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.065 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.97 -41.42 32.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.9 t90 -59.96 -55.05 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.36 86.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.69 -55.89 17.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -57.8 -39.02 76.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 41' ' ' MET . . . -65.44 -33.04 75.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.07 73.61 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.78 -50.94 64.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.57 -54.48 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -42.77 -36.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.99 -40.42 57.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.69 -56.71 18.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.91 78.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -36.11 75.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.53 24.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.16 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.15 65.86 1.91 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.966 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 mmt -63.59 -50.18 70.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.62 -54.44 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 t -44.03 -36.78 2.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.06 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.9 -37.56 56.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.37 -52.69 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.27 87.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.34 -36.59 78.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.36 -49.86 18.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.49 -50.96 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.81 66.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.04 66.91 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.0 mmt -55.95 -53.12 60.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.83 -54.51 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.4 m -43.28 -34.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.48 -40.6 54.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ILE . 12.4 t90 -58.59 -53.45 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -37.26 83.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -37.01 74.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.02 12.01 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.446 1.092 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.24 -50.73 68.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.34 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.87 64.47 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.43 0.724 . . . . 0.0 110.962 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -50.96 70.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.62 -54.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 m -42.52 -36.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -71.83 -40.95 57.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.68 -58.67 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . . . -57.22 -38.25 73.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -69.07 -55.99 9.72 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 4.3 pp -55.45 -50.32 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' N ' ' CD1' ' A' ' 38' ' ' LEU . . . -68.45 -28.9 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.55 67.76 2.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mmt -56.37 -51.01 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.53 -54.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m -42.67 -36.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.85 60.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.3 t90 -57.82 -53.72 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.46 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.39 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -36.28 75.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.86 -49.44 13.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.17 -50.93 69.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.35 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 60.34 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -52.03 67.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.2 tt -54.45 -54.44 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -35.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.67 -43.51 35.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.8 t90 -58.98 -56.64 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.04 -37.95 78.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.1 t -59.27 -37.25 77.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.01 -49.16 29.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.35 -51.03 71.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.587 0.816 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.75 -27.05 68.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.5 59.03 4.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.595 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 93.0 mtt180 -151.93 178.84 9.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -173.38 45.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -76.2 -21.86 55.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.35 -132.26 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -103.8 73.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 0.774 . . . . 0.0 109.246 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . 136.13 -106.56 0.57 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG13 ' CD ' ' A' ' 2' ' ' ARG . 21.7 t 69.43 -64.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 2' ' ' ARG . 38.7 p90 -89.54 36.1 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.1 m 67.41 171.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.752 ' ND2' ' HZ2' ' A' ' 14' ' ' LYS . 42.3 t30 -71.96 -67.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.533 HD21 ' ND2' ' A' ' 11' ' ' ASN . 63.0 m-80 -166.38 -66.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -35.07 10.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.752 ' HZ2' ' ND2' ' A' ' 11' ' ' ASN . 8.0 mtmt -80.61 -149.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m 177.82 105.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.166 . . . . 0.0 108.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -96.06 160.2 14.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.24 133.15 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 49.35 93.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -77.43 -56.95 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.35 -56.68 22.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -50.04 -56.33 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.69 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.9 -66.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -53.01 -24.42 9.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.9 139.85 50.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -55.71 -44.39 76.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 tt -52.41 -36.08 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 62.17 94.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.86 -54.5 6.45 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -51.97 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.67 -54.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -42.33 -35.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.65 -41.49 50.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.9 t90 -58.18 -55.27 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . . . -60.68 -37.25 80.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.05 -55.93 8.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 4.3 pp -58.04 -49.0 78.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.02 -33.06 73.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -78.49 61.14 3.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.1 tmm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.936 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -173.11 -83.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 41.92 39.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.62 -81.56 0.32 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.476 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 13.5 p-10 174.7 -35.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 0.797 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.93 68.75 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -122.15 -66.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.476 ' CE2' ' O ' ' A' ' 6' ' ' ASN . 19.3 p90 -46.97 -41.85 16.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 60.02 156.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -67.81 -166.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 1.1 p30 -100.92 -52.57 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -85.12 -45.23 12.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -74.64 -79.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 t 72.94 98.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.4 p90 -119.13 153.34 35.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 108.057 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.73 -68.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.55 93.43 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -52.04 -53.21 44.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.36 -54.93 3.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -50.35 -40.57 49.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.803 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' ARG . . . -54.94 -51.1 67.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -61.49 -46.7 88.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -46.78 -59.8 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.67 135.58 44.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 pp -52.99 -44.32 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 28' ' ' GLY . 1.5 tt -51.36 -32.32 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' N ' HG21 ' A' ' 27' ' ' ILE . . . -40.14 -32.49 0.4 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.59 -50.3 12.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.61 -50.53 73.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.63 -54.45 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 t -43.34 -36.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.45 58.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.5 t90 -59.21 -57.9 11.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.45 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -37.78 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.65 -48.5 28.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.09 -50.62 72.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.89 68.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.54 73.39 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.718 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -119.85 -173.51 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -167.62 44.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.462 ' CD2' HG23 ' A' ' 8' ' ' VAL . 4.6 m-85 -71.57 -79.35 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.515 1.134 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.75 -35.16 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -92.14 35.71 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.559 ' HA3' ' CH2' ' A' ' 16' ' ' TRP . . . 84.54 -83.19 1.64 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.462 HG23 ' CD2' ' A' ' 4' ' ' TYR . 41.2 t 68.75 -64.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.553 0.796 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 7' ' ' GLY . 39.4 p90 -88.97 36.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.071 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' HA ' ' CE2' ' A' ' 16' ' ' TRP . 34.8 m 72.44 173.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.14 -74.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -173.08 -54.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -33.22 41.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.55 179.42 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 96.9 m -100.67 -101.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -157.31 -47.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.051 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t 64.11 -79.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -132.59 92.04 3.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -52.04 5.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.67 -57.35 1.56 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -50.09 -47.83 53.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -51.85 67.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.22 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -55.25 -67.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -47.88 -42.69 27.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -50.1 134.42 22.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.5 mt -70.05 -45.32 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.24 -35.93 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 43.02 90.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.72 -55.24 6.07 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.05 -51.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.64 -54.42 22.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.615 1.197 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.2 t -44.83 -35.86 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 -36.54 40.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.5 t90 -61.8 -58.76 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 39' ' ' ALA . . . -59.9 -41.16 91.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 29.1 t -62.12 -34.03 75.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.17 -55.79 8.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.66 -51.03 62.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 35' ' ' ALA . . . -67.28 -29.35 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -39.27 -39.34 1.04 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.0 ttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.031 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 143.16 56.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.473 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 39.6 t -167.26 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 37.71 48.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 79.61 -112.58 3.48 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -138.28 107.18 5.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.63 90.44 1.26 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 3' ' ' SER . 0.2 OUTLIER 179.1 -83.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.453 0.737 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.421 ' N ' ' CG2' ' A' ' 8' ' ' VAL . 19.2 p90 -43.84 -33.06 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.9 m 66.87 160.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 108.268 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' CG ' ' ND2' ' A' ' 12' ' ' ASN . 55.1 t30 -86.17 -68.12 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.42 ' ND2' ' CG ' ' A' ' 11' ' ' ASN . 40.8 m-80 -158.5 -67.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.82 -49.02 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.378 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -86.18 -142.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 16' ' ' TRP . 5.4 t -170.5 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.08 . . . . 0.0 108.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER 63.66 126.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.1 p -113.51 -45.3 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -102.69 115.89 31.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -98.32 -55.53 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.48 153.39 23.01 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -66.32 -13.38 60.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.741 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.0 66.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 24' ' ' GLN . 15.0 t -78.12 -52.35 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.435 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' N ' ' CG2' ' A' ' 23' ' ' THR . 21.2 mt-30 -41.43 -54.82 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -136.54 130.1 31.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 27' ' ' ILE . 2.6 pp -70.1 -43.14 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -55.94 -35.99 42.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.76 97.67 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.08 -51.45 8.89 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -52.02 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.386 0.698 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.56 -54.53 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t -41.74 -35.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.65 -42.47 39.63 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.4 t90 -58.77 -55.42 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 39' ' ' ALA . . . -60.46 -37.58 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -34.06 77.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.35 -55.95 8.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.64 -50.47 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 35' ' ' ALA . . . -66.39 -28.79 68.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.61 -38.21 2.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 58.95 115.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 p -144.42 -87.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 42.58 -162.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.26 -170.51 14.92 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.3 t30 65.86 44.51 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.746 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 16' ' ' TRP . . . 52.66 62.57 5.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.35 -35.0 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.13 55.29 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.523 ' HA ' ' CZ2' ' A' ' 16' ' ' TRP . 5.8 m 63.01 174.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 108.342 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.496 ' ND2' ' ND2' ' A' ' 12' ' ' ASN . 63.2 t30 -86.38 -66.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.496 ' ND2' ' ND2' ' A' ' 11' ' ' ASN . 1.4 m-80 -160.9 -66.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -98.05 -35.61 10.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.02 -158.78 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.541 ' C ' ' CG ' ' A' ' 16' ' ' TRP . 8.4 t -173.54 38.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 108.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CZ2' ' HA3' ' A' ' 7' ' ' GLY . 0.9 OUTLIER 73.61 -75.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.055 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 t 63.22 128.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 40.97 87.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -107.94 -43.47 4.43 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.42 1.075 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.37 -66.56 2.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -50.02 -33.98 19.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 0.729 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.7 67.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 24' ' ' GLN . 5.2 t -72.84 -38.15 67.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' N ' HG23 ' A' ' 23' ' ' THR . 5.5 mt-30 -50.78 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.6 146.08 19.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.016 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -36.72 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -35.2 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.58 110.67 2.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.095 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.9 -45.88 25.31 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -61.38 -51.91 66.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.2 tt -54.69 -54.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.42 -35.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.47 -40.31 33.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.427 1.079 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.0 t90 -61.05 -56.94 15.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.76 86.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -57.9 -37.28 73.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.77 -51.35 20.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mt -58.16 -50.55 73.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.92 67.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.21 60.12 3.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.733 . . . . 0.0 110.943 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.93 143.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -175.28 -79.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.434 ' CD2' HG12 ' A' ' 8' ' ' VAL . 80.0 m-85 45.9 84.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 111.018 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 40.13 -96.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 4' ' ' TYR . 20.8 p-10 -154.79 126.25 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.492 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . 112.66 63.37 0.46 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.499 1.125 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 5.0 t -162.28 -44.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.746 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' VAL . 56.4 m-85 -37.22 -62.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 m 58.84 106.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.185 . . . . 0.0 108.334 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -72.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -179.06 -52.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.51 -48.93 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -60.93 -69.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t 66.64 123.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 108.34 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -130.68 160.68 33.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.026 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p -163.52 -44.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -103.54 91.27 3.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -107.88 -44.76 4.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -70.9 0.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 25' ' ' SER . 2.3 tp10 -57.03 -22.07 35.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.17 -51.53 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -85.24 -43.59 13.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.371 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -52.62 -51.88 57.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 59.5 p -58.36 129.97 44.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.068 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.48 -40.59 88.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -35.51 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.11 95.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.99 -50.38 10.96 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -51.79 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.57 -54.5 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t -42.23 -35.5 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.06 -42.43 51.58 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.7 t90 -55.49 -50.98 68.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.04 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -65.42 -34.22 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.02 -49.41 13.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mt -55.82 -50.99 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 0.714 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.29 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.12 62.06 2.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.3 OUTLIER -81.06 -76.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER 83.36 81.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -118.25 -57.09 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.71 -144.9 4.91 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.407 1.067 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 19' ' ' ARG . 2.5 t-20 -81.36 70.07 8.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.44 134.52 8.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -156.84 -84.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 8.0 p90 -39.45 -41.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 66.6 m -155.37 145.53 21.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.351 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.665 ' ND2' HD22 ' A' ' 12' ' ' ASN . 61.6 t30 -57.7 -64.51 0.88 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.665 HD22 ' ND2' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -168.4 -64.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.65 -29.23 13.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -89.29 -151.9 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -169.96 124.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.329 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CH2' ' CG ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER -139.87 -168.3 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 108.03 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.12 120.26 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 t30 60.65 111.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -56.6 -28.0 59.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.77 -79.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.466 1.104 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -50.22 -34.72 23.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.594 0.82 . . . . 0.0 110.252 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.42 78.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -65.34 -43.05 92.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -49.8 -62.26 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 p -127.09 139.6 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.033 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 mt -69.91 -50.07 51.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 pt -71.6 -36.15 58.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.5 -26.38 9.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.0 -11.74 81.36 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.73 -35.83 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 tt -54.42 -54.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.96 -44.2 9.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.9 -41.18 98.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -56.51 -55.13 37.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.42 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -36.44 76.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.97 -45.9 24.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.577 1.173 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.87 -51.02 71.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.8 66.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.7 71.62 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.417 0.716 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -78.64 162.74 26.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER 164.61 -42.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 37.78 30.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 3' ' ' SER . . . 76.91 143.18 1.54 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.437 1.086 . . . . 0.0 111.093 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.473 ' CG ' ' CB ' ' A' ' 22' ' ' ALA . 3.2 t-20 73.42 -66.77 0.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 152.53 108.0 0.35 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -94.98 -41.22 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 0.716 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.57 ' CE2' ' HA2' ' A' ' 7' ' ' GLY . 1.1 p90 -36.58 -44.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 9' ' ' TYR . 37.9 t 58.26 162.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 9.7 t30 -104.88 -80.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 56.3 m-80 -166.8 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.48 -34.99 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 16' ' ' TRP . 10.6 mtmm -70.31 -56.79 5.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.44 26.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.383 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' HB3' ' CG ' ' A' ' 19' ' ' ARG . 6.3 m-90 63.69 86.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -40.42 -58.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.53 124.81 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 16' ' ' TRP . 3.3 mtp180 -108.03 -52.55 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.2 -131.78 1.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -13.63 60.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' CB ' ' CG ' ' A' ' 6' ' ' ASN . . . -56.75 -51.73 67.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.195 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 t -73.14 -37.89 66.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -47.34 -56.92 5.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.302 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.9 p -106.57 130.01 54.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -69.81 -37.75 74.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -35.87 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.47 127.42 2.77 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.12 -49.84 11.85 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.36 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.736 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.64 -54.38 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -42.83 -36.0 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.14 -40.48 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.79 -56.72 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.93 -38.06 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -36.44 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.84 -46.84 21.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.66 -51.07 70.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.248 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -26.91 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.6 62.21 3.87 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.6 mtp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.455 0.738 . . . . 0.0 110.967 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 3' ' ' SER . 2.6 ttt180 -73.99 171.32 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.468 ' HA ' ' CE2' ' A' ' 9' ' ' TYR . 3.3 t 166.35 -72.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 39.07 38.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.86 -154.05 16.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -91.8 -35.76 13.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.349 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . -91.55 -131.46 5.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 t 70.13 -62.18 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 39.4 p90 -93.03 -44.21 8.52 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.556 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 78.3 m 47.87 -171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -105.82 -69.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.501 ' ND2' ' H ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -158.58 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -98.03 -28.69 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -148.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' TRP . 0.8 OUTLIER 169.42 43.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.493 ' CD1' ' HD3' ' A' ' 19' ' ' ARG . 1.3 m-90 50.64 -177.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.053 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.1 t 73.74 16.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -173.96 44.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.493 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 69.5 mtm180 -85.86 -56.78 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.57 -56.72 23.13 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.1 -31.27 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.65 -51.81 68.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 24' ' ' GLN . 10.4 t -71.85 -24.06 61.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' N ' HG21 ' A' ' 23' ' ' THR . 16.8 mm-40 -62.71 -53.62 51.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -50.88 136.41 22.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.941 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.9 mt -56.28 -43.71 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.229 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.52 -35.16 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 73.04 107.11 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.89 -48.73 15.47 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmm -60.95 -49.7 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.447 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 9.0 tt -54.44 -55.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -36.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.64 -40.38 66.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.5 t90 -57.26 -51.28 69.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 -35.67 81.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -35.9 78.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.99 17.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.61 -50.86 70.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.22 67.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.84 65.43 2.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 3' ' ' SER . 7.7 mtt180 -140.69 -173.83 3.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.2 OUTLIER 161.89 87.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -138.85 72.98 1.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.64 -105.25 2.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.547 ' O ' ' CZ ' ' A' ' 9' ' ' TYR . 46.7 m-20 -128.83 -45.51 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . -85.04 -133.36 2.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.9 t 68.31 -68.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.626 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 39.2 p90 -84.34 -45.69 12.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.626 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 60.41 154.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 108.376 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' ND2' ' HE3' ' A' ' 14' ' ' LYS . 1.1 t30 -72.49 -161.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -96.02 -70.77 0.7 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -36.81 59.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HE3' ' ND2' ' A' ' 11' ' ' ASN . 17.9 mtmt -75.45 -67.12 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.192 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HA ' ' N ' ' A' ' 11' ' ' ASN . 12.3 t 52.98 85.35 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 108.295 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.447 ' NE1' ' O ' ' A' ' 6' ' ' ASN . 39.9 p90 -104.03 171.63 7.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 108.01 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.1 -63.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.0 92.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -84.11 7.11 19.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.6 -70.28 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -28.65 19.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.1 -51.52 66.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 m -71.86 -46.0 59.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.404 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -41.51 -57.24 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.54 143.55 26.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -69.75 -40.54 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' MET . 1.9 pp -53.91 -33.97 24.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 31' ' ' ILE . . . -37.94 -35.41 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.05 -48.01 16.96 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ILE . 2.1 mmt -64.13 -49.57 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 0.732 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.2 tt -54.59 -54.39 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.11 -37.19 1.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.027 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.68 -39.52 66.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.2 t90 -58.19 -53.85 53.64 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . . . -61.43 -36.73 81.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -68.65 -34.11 75.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.933 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.86 -54.56 21.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.428 1.08 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 4.2 pp -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.96 71.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 73.95 0.51 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.559 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -41.44 142.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t 175.55 -78.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 55.88 106.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.13 -85.48 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 6' ' ' ASN . 11.8 p-10 -166.63 72.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' CA ' ' CZ2' ' A' ' 16' ' ' TRP . . . 100.35 140.95 11.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -159.86 -45.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.733 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 36.3 p90 -86.42 -45.73 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.596 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 43.4 t -179.94 162.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.505 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 45.5 t30 -94.33 162.19 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.453 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -40.39 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.02 -49.1 4.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HZ2' ' ND2' ' A' ' 11' ' ' ASN . 35.1 mtmm -67.14 -175.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.83 84.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.346 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.549 ' CZ2' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -43.29 -53.24 5.33 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 18' ' ' ASN . 7.5 t 64.0 -80.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.442 ' HB3' ' CG ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -134.69 98.85 4.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -78.6 -44.79 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.07 -71.6 0.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' CG ' ' HB3' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -50.42 -39.06 46.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 0.741 . . . . 0.0 110.248 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.56 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.36 -68.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.157 . . . . 0.0 110.45 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -43.74 -41.94 5.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.245 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.5 131.28 13.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 110.026 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -69.65 -42.28 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 28' ' ' GLY . 1.2 tt -54.81 -32.47 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.405 ' N ' HG22 ' A' ' 27' ' ' ILE . . . 107.75 110.79 3.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.63 -48.5 17.41 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.7 mmt -58.01 -50.51 73.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 111.045 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' TRP . 9.1 tt -54.58 -55.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.05 -36.19 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.073 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.47 54.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.63 -57.8 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.75 77.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -37.28 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.34 -49.68 24.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -57.79 -51.01 71.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.74 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.374 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.07 59.12 3.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.369 1.043 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.0 mtt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.432 ' HG3' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -157.2 -171.76 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.535 ' HA ' ' CE1' ' A' ' 9' ' ' TYR . 38.5 p -169.8 -48.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 6' ' ' ASN . 93.5 m-85 37.71 88.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 44.69 -93.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' TYR . 26.6 m120 -154.0 128.43 9.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.415 0.715 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.491 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . 103.83 64.63 0.69 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 3.2 t -163.58 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.527 0.78 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 3' ' ' SER . 50.3 m-85 -36.79 -45.78 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.07 141.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 9.5 t30 -114.16 -86.62 0.59 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 15.3 m-80 -158.22 -85.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -33.24 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.09 174.48 13.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -91.59 -76.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.22 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 166.81 65.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 107.978 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -49.15 -47.38 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.6 148.49 33.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -105.98 -56.45 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.44 -61.77 0.3 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.22 -39.52 44.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.269 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.27 -51.39 66.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 m -60.32 -52.48 65.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.38 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -42.38 -55.2 3.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -51.31 130.68 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.027 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.05 -39.06 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 pt -56.01 -35.29 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 59.42 93.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.97 -56.51 5.28 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.0 mmt -56.56 -51.81 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.58 -54.53 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.59 -36.02 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.046 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.13 -35.83 52.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.6 t90 -60.78 -58.16 9.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.18 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 m -62.1 -34.37 76.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.57 -55.01 12.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.92 -48.82 75.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.66 -30.63 70.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -69.88 73.03 0.52 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 143.62 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -173.38 -44.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.567 ' CD2' HG21 ' A' ' 8' ' ' VAL . 59.1 m-85 49.15 -179.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.23 -68.65 1.33 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -179.08 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.35 46.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.471 1.107 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 4' ' ' TYR . 3.4 t -143.59 -84.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.462 ' CD2' ' N ' ' A' ' 10' ' ' CYS . 24.3 p90 -37.85 -45.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' N ' ' CD2' ' A' ' 9' ' ' TYR . 1.6 m 65.61 168.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' ND2' ' OD1' ' A' ' 12' ' ' ASN . 9.8 p-10 -74.68 -45.82 41.95 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' OD1' ' ND2' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -161.49 -86.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -94.47 -49.1 5.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -93.21 -145.42 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.608 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.38 -85.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 108.271 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.639 ' CE3' ' NH2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -177.49 -167.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.74 -55.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.12 119.55 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.639 ' NH2' ' CE3' ' A' ' 16' ' ' TRP . 9.4 ttm180 -97.61 -56.06 2.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 173.49 -50.39 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.19 -47.59 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -40.92 99.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -66.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.56 -29.06 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.15 130.02 21.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -68.66 -36.13 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.44 -35.76 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 48.11 98.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.99 -46.68 21.66 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mmt -60.74 -51.78 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 111.064 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.64 -54.5 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.7 t -43.29 -35.72 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -73.81 -39.04 48.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.61 -58.2 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . . . -58.95 -39.19 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 t -66.12 -33.97 77.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -68.78 -55.92 10.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 4.2 pp -55.69 -50.48 70.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' N ' ' CD1' ' A' ' 38' ' ' LEU . . . -68.06 -29.29 68.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.9 66.0 3.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.455 ' O ' ' NE ' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 39.18 -160.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -177.18 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' ' 6' ' ' ASN . 28.7 m-85 40.52 86.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 49.49 -92.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' TYR . 2.5 t-20 -150.74 154.05 36.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . 74.93 69.55 1.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 3.5 t -161.17 -73.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CD2' ' N ' ' A' ' 10' ' ' CYS . 28.8 p90 -50.23 -45.95 54.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.172 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.525 ' N ' ' CD2' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 70.86 141.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 108.257 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 40.6 t30 -69.6 -66.11 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 48.1 m-80 -164.85 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -35.12 10.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -86.47 -160.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.2 120.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.3 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.408 ' NE1' ' OH ' ' A' ' 9' ' ' TYR . 12.4 p90 -112.4 164.03 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 108.088 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 p -171.31 -41.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -118.96 88.1 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -107.61 -55.38 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.78 -58.75 12.52 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.498 1.124 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -50.43 -39.2 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 110.331 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.29 -51.08 67.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -62.73 -45.03 94.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.358 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -48.03 -50.57 27.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.9 m -51.19 147.22 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.958 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tt -67.77 -44.91 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.3 -33.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.463 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 41.86 90.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.95 -56.23 5.43 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.9 mmm -57.48 -51.36 69.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.6 -54.46 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 t -42.06 -35.23 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.065 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.97 -41.42 32.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.9 t90 -59.96 -55.05 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.36 86.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.69 -55.89 17.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -57.8 -39.02 76.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 41' ' ' MET . . . -65.44 -33.04 75.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.07 73.61 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.04 161.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -178.86 -47.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.07 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 37.65 78.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 37.91 43.06 1.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.09 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.9 m120 63.7 168.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . 60.18 75.47 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 2.1 t -169.63 -42.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -88.76 38.27 0.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.89 86.61 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' N ' ' HA ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -54.49 -173.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -89.61 -67.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -35.71 82.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 15' ' ' CYS . 23.8 mtmm -90.0 -96.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 1.3 t 91.49 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.245 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.421 ' HB3' ' CD ' ' A' ' 19' ' ' ARG . 31.7 m-90 66.36 85.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 108.034 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.58 -43.57 78.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -149.27 102.31 3.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' CD ' ' HB3' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -54.7 -57.0 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 110.339 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.56 -53.23 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -50.18 -49.09 53.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.31 -46.44 79.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.64 -64.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -55.74 -33.14 63.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.4 156.85 1.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.6 mt -66.24 -46.84 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.48 ' CD1' ' C ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -53.68 -31.69 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.45 -34.74 3.66 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.98 -43.76 32.72 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.78 -50.94 64.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.57 -54.48 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -42.77 -36.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.99 -40.42 57.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.69 -56.71 18.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.91 78.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -36.11 75.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.53 24.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.16 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.15 65.86 1.91 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.966 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.536 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 78.6 mtt180 -118.84 160.78 21.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 4' ' ' TYR . 90.7 p -130.74 5.64 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 3' ' ' SER . 5.8 m-85 -37.09 -63.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.056 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -142.14 168.76 25.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.423 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 3.2 t30 -61.34 83.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.343 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' GLY . . . 106.51 96.53 2.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -142.36 -81.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.536 ' CD1' ' O ' ' A' ' 2' ' ' ARG . 6.0 p90 -37.19 -39.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 16' ' ' TRP . 1.1 m -58.34 -170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.81 -85.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 167.26 -41.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 1.8 pttt -98.21 -38.79 9.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.614 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -115.67 -155.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 16' ' ' TRP . 5.3 t 83.67 14.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 108.257 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.614 ' CE3' ' O ' ' A' ' 14' ' ' LYS . 3.6 m-90 -156.75 44.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.038 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p 40.77 48.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.25 89.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -100.35 -18.23 16.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.14 -69.75 1.32 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -50.06 -27.67 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.25 53.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 24' ' ' GLN . 15.2 t -74.75 -38.4 62.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.417 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' HG22 ' A' ' 23' ' ' THR . 26.4 mt-30 -54.64 -59.17 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.7 p -77.91 140.78 39.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 mt -68.13 -49.18 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' MET . 1.2 tt -51.1 -35.8 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' HA2' ' CG2' ' A' ' 31' ' ' ILE . . . -38.51 -35.93 0.37 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.53 -47.31 22.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ILE . 4.2 mmt -63.59 -50.18 70.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.62 -54.44 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 t -44.03 -36.78 2.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.06 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.9 -37.56 56.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.37 -52.69 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.27 87.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.34 -36.59 78.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.36 -49.86 18.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.49 -50.96 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.81 66.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.04 66.91 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.48 129.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.209 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -153.28 -45.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 53.09 172.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -40.61 -72.0 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -163.07 140.13 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.94 62.96 1.41 Allowed Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 t -151.27 -83.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 0.791 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CD2' ' N ' ' A' ' 10' ' ' CYS . 14.8 p90 -37.94 -46.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.456 ' N ' ' CD2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 54.05 176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 108.279 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -81.7 -56.53 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -165.08 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -32.99 14.26 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.4 176.4 9.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.556 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 54.9 m -100.61 -99.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.556 ' CE3' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 168.62 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 6.2 p 50.68 178.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -58.53 99.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 15' ' ' CYS . 1.9 mtp85 -91.07 14.95 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.43 -64.9 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -50.43 -41.55 52.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 0.732 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.35 72.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -59.27 -40.0 84.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -64.43 -74.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 t -157.54 171.9 19.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.07 -43.25 69.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.426 HG21 ' CG ' ' A' ' 30' ' ' MET . 0.5 OUTLIER -83.15 -36.52 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.96 -50.4 3.9 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.38 -42.75 33.33 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.426 ' CG ' HG21 ' A' ' 27' ' ' ILE . 7.0 mmt -55.95 -53.12 60.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.83 -54.51 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.4 m -43.28 -34.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.48 -40.6 54.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ILE . 12.4 t90 -58.59 -53.45 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -37.26 83.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -37.01 74.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.02 12.01 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.446 1.092 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.24 -50.73 68.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.34 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.87 64.47 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.43 0.724 . . . . 0.0 110.962 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -50.87 141.11 13.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 5' ' ' GLY . 8.0 t -174.36 -41.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.54 ' CE1' HG11 ' A' ' 8' ' ' VAL . 45.7 m-85 54.36 -86.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 3' ' ' SER . . . -137.63 -70.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -149.41 101.51 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.36 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.12 122.41 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.113 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.54 HG11 ' CE1' ' A' ' 4' ' ' TYR . 3.4 t -157.22 -66.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -51.37 -20.51 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' CE2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER 71.79 144.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 12' ' ' ASN . 10.0 t-20 -67.49 -83.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.493 ' ND2' ' H ' ' A' ' 13' ' ' LYS . 0.7 OUTLIER 174.98 -48.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -97.98 -49.63 4.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 109.367 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -73.76 -48.17 33.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.389 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 4.5 t 41.68 82.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 108.329 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.523 ' HE1' ' N ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -43.08 -57.87 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 108.083 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 18' ' ' ASN . 4.8 t 64.04 -81.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -135.6 89.26 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -108.06 -18.47 13.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.61 -54.17 25.8 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 2.4 pp20? -55.27 -37.42 67.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -50.53 71.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -57.47 -65.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' CG ' ' HA ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -50.45 -29.56 10.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 24.5 m -75.94 134.67 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.62 -40.91 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.389 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 28' ' ' GLY . 2.7 pt -54.62 -28.14 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 27' ' ' ILE . . . -37.76 -35.94 0.27 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.9 -53.04 7.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -50.96 70.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.3 tt -54.62 -54.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 m -42.52 -36.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -71.83 -40.95 57.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.68 -58.67 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . . . -57.22 -38.25 73.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -69.07 -55.99 9.72 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 4.3 pp -55.45 -50.32 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' N ' ' CD1' ' A' ' 38' ' ' LEU . . . -68.45 -28.9 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.55 67.76 2.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 154.68 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m 170.78 43.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -77.76 98.84 5.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASN . . . 39.75 42.49 2.1 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 6' ' ' ASN . 0.8 OUTLIER 46.18 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . 150.84 62.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 2.1 t -164.9 -43.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -88.13 40.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -167.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -156.25 -69.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 14' ' ' LYS . 2.6 m-80 -109.24 -154.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -25.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -137.2 163.17 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 91.8 m -74.22 -105.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' VAL . 1.2 m-90 -103.84 -167.02 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' TRP . 2.6 p -37.61 -57.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -161.23 60.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.77 -18.14 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -134.1 0.1 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.429 1.081 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -50.11 -23.56 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.68 -51.19 66.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -81.63 -55.56 4.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -41.65 -58.06 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.66 130.14 54.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.19 -37.86 78.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.1 tt -57.96 -35.92 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 45.81 90.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.0 -57.71 4.71 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mmt -56.37 -51.01 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.469 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.53 -54.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m -42.67 -36.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.85 60.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.3 t90 -57.82 -53.72 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.46 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.39 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -36.28 75.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.86 -49.44 13.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.17 -50.93 69.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.35 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 60.34 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -89.2 157.21 18.34 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.9 OUTLIER 164.16 43.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.013 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -77.28 121.69 24.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.27 -113.49 5.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -58.49 4.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 8' ' ' VAL . . . -163.64 -54.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 80.13 -52.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.763 . . . . 0.0 109.203 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 44.5 p90 -56.42 -44.05 80.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.643 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 176.13 -167.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.271 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -117.46 -69.05 0.87 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.58 -65.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.86 -35.71 10.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.56 -176.56 3.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 77.0 m -111.3 -99.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.34 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -179.51 -169.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -131.98 -62.24 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.39 107.7 1.8 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -67.53 -33.3 74.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -41.94 -67.48 0.84 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -31.4 66.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.26 -51.97 67.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.01 -67.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -48.12 -34.42 9.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.08 158.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -64.34 -38.9 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.41 -24.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.44 -37.91 1.9 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.35 -47.91 15.76 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -52.03 67.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.2 tt -54.45 -54.44 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -35.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.67 -43.51 35.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.8 t90 -58.98 -56.64 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.04 -37.95 78.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.1 t -59.27 -37.25 77.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.01 -49.16 29.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.35 -51.03 71.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.587 0.816 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.75 -27.05 68.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.5 59.03 4.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -51.97 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.44 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.67 -54.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 31' ' ' ILE . 47.2 t -42.33 -35.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.65 -41.49 50.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.9 t90 -58.18 -55.27 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -60.68 -37.25 80.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.05 -55.93 8.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -58.04 -49.0 78.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.683 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -69.02 -33.06 73.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -78.49 61.14 3.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.1 tmm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.936 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.61 -50.53 73.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.44 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.63 -54.45 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 31' ' ' ILE . 5.1 t -43.34 -36.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.45 58.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.5 t90 -59.21 -57.9 11.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.23 -38.45 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -37.78 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.65 -48.5 28.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.5 mt -57.09 -50.62 72.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.89 68.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.54 73.39 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.718 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.05 -51.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.42 22.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.615 1.197 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 34.2 t -44.83 -35.86 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 -36.54 40.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.5 t90 -61.8 -58.76 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -59.9 -41.16 91.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 29.1 t -62.12 -34.03 75.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.17 -55.79 8.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 39' ' ' ALA . 3.7 pp -65.66 -51.03 62.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.565 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -67.28 -29.35 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -39.27 -39.34 1.04 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.0 ttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.031 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -52.02 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.386 0.698 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.56 -54.53 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.1 t -41.74 -35.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.65 -42.47 39.63 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.4 t90 -58.77 -55.42 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -60.46 -37.58 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -34.06 77.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.35 -55.95 8.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -65.64 -50.47 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.624 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -66.39 -28.79 68.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.61 -38.21 2.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -61.38 -51.91 66.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 32' ' ' SER . 8.2 tt -54.69 -54.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -42.42 -35.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.47 -40.31 33.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.427 1.079 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.0 t90 -61.05 -56.94 15.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.81 -39.76 86.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -57.9 -37.28 73.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.77 -51.35 20.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.8 mt -58.16 -50.55 73.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.92 67.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.21 60.12 3.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.733 . . . . 0.0 110.943 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -51.79 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.57 -54.5 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.1 t -42.23 -35.5 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.06 -42.43 51.58 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.7 t90 -55.49 -50.98 68.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -66.41 -35.04 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -65.42 -34.22 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.02 -49.41 13.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.6 mt -55.82 -50.99 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 0.714 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.29 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.12 62.06 2.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.73 -35.83 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 32' ' ' SER . 8.2 tt -54.42 -54.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -44.96 -44.2 9.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.9 -41.18 98.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -56.51 -55.13 37.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -61.46 -36.42 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -36.44 76.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.97 -45.9 24.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.577 1.173 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 35' ' ' ALA . 6.8 mt -60.87 -51.02 71.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.8 66.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.7 71.62 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.417 0.716 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.36 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.736 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.38 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.0 t -42.83 -36.0 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.14 -40.48 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.79 -56.72 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.93 -38.06 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -36.44 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.84 -46.84 21.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.7 mt -60.66 -51.07 70.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -26.91 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.6 62.21 3.87 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.6 mtp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.455 0.738 . . . . 0.0 110.967 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmm -60.95 -49.7 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 32' ' ' SER . 9.0 tt -54.44 -55.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -42.87 -36.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.64 -40.38 66.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.5 t90 -57.26 -51.28 69.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -64.31 -35.67 81.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -35.9 78.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.99 17.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.5 mt -56.61 -50.86 70.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.22 67.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.84 65.43 2.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 mmt -64.13 -49.57 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 0.732 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.2 tt -54.59 -54.39 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -43.11 -37.19 1.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.027 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.68 -39.52 66.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.2 t90 -58.19 -53.85 53.64 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.482 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -61.43 -36.73 81.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -68.65 -34.11 75.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.933 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.86 -54.56 21.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.428 1.08 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.694 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -60.08 -32.96 71.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 73.95 0.51 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.7 mmt -58.01 -50.51 73.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 111.045 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 32' ' ' SER . 9.1 tt -54.58 -55.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -43.05 -36.19 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.073 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.47 54.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.63 -57.8 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.37 -38.75 77.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -37.28 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.34 -49.68 24.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.2 mt -57.79 -51.01 71.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.74 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.374 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.07 59.12 3.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.369 1.043 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.0 mtt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.0 mmt -56.56 -51.81 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.58 -54.53 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.445 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -44.59 -36.02 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.046 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.13 -35.83 52.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.6 t90 -60.78 -58.16 9.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.18 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 m -62.1 -34.37 76.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.57 -55.01 12.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.697 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.4 pp -63.92 -48.82 75.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.697 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -66.66 -30.63 70.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -69.88 73.03 0.52 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mmt -60.74 -51.78 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 111.064 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.5 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.447 ' N ' HG23 ' A' ' 31' ' ' ILE . 18.7 t -43.29 -35.72 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -73.81 -39.04 48.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.61 -58.2 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -58.95 -39.19 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 t -66.12 -33.97 77.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -68.78 -55.92 10.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -55.69 -50.48 70.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.85 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -68.06 -29.29 68.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.9 66.0 3.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.9 mmm -57.48 -51.36 69.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.6 -54.46 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 43.4 t -42.06 -35.23 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.065 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.97 -41.42 32.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.9 t90 -59.96 -55.05 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -61.48 -38.36 86.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.69 -55.89 17.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -57.8 -39.02 76.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.585 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -65.44 -33.04 75.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.07 73.61 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.78 -50.94 64.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.57 -54.48 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 3.8 t -42.77 -36.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.99 -40.42 57.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.69 -56.71 18.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.627 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.09 -37.91 78.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -36.11 75.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.53 24.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.7 mt -58.16 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.15 65.86 1.91 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.966 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 mmt -63.59 -50.18 70.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.62 -54.44 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 31' ' ' ILE . 4.3 t -44.03 -36.78 2.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.9 -37.56 56.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.37 -52.69 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -64.68 -37.27 87.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.34 -36.59 78.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.36 -49.86 18.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 35' ' ' ALA . 6.2 mt -56.49 -50.96 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.81 66.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.04 66.91 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.0 mmt -55.95 -53.12 60.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.83 -54.51 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 31' ' ' ILE . 55.4 m -43.28 -34.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.48 -40.6 54.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ILE . 12.4 t90 -58.59 -53.45 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -61.81 -37.26 83.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -37.01 74.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.02 12.01 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.446 1.092 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.3 mt -55.24 -50.73 68.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.34 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.87 64.47 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.43 0.724 . . . . 0.0 110.962 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -50.96 70.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.62 -54.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 31' ' ' ILE . 16.9 m -42.52 -36.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -71.83 -40.95 57.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.68 -58.67 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -57.22 -38.25 73.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -69.07 -55.99 9.72 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -55.45 -50.32 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.822 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -68.45 -28.9 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.55 67.76 2.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mmt -56.37 -51.01 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.53 -54.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 1.6 m -42.67 -36.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.85 60.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.3 t90 -57.82 -53.72 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.46 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.39 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -36.28 75.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.86 -49.44 13.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.17 -50.93 69.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.35 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 60.34 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -52.03 67.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.2 tt -54.45 -54.44 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -41.03 -35.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.67 -43.51 35.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.8 t90 -58.98 -56.64 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.04 -37.95 78.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.1 t -59.27 -37.25 77.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.01 -49.16 29.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.6 mt -59.35 -51.03 71.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.587 0.816 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.75 -27.05 68.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.5 59.03 4.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.595 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 93.0 mtt180 -151.93 178.84 9.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -173.38 45.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.709 ' HB2' HG21 ' A' ' 8' ' ' VAL . 10.9 m-85 -76.2 -21.86 55.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.35 -132.26 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.411 ' HB2' ' NH2' ' A' ' 19' ' ' ARG . 4.3 m-80 -103.8 73.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 0.774 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . 136.13 -106.56 0.57 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.709 HG21 ' HB2' ' A' ' 4' ' ' TYR . 21.7 t 69.43 -64.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 2' ' ' ARG . 38.7 p90 -89.54 36.1 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.1 m 67.41 171.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -71.96 -67.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -166.38 -66.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -35.07 10.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -80.61 -149.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m 177.82 105.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.166 . . . . 0.0 108.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -96.06 160.2 14.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.24 133.15 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 49.35 93.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' NH2' ' HB2' ' A' ' 6' ' ' ASN . 5.7 mtm180 -77.43 -56.95 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.35 -56.68 22.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -50.04 -56.33 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.69 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.9 -66.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -53.01 -24.42 9.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.9 139.85 50.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -55.71 -44.39 76.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 tt -52.41 -36.08 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 62.17 94.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.86 -54.5 6.45 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -51.97 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.67 -54.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 31' ' ' ILE . 47.2 t -42.33 -35.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.65 -41.49 50.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.9 t90 -58.18 -55.27 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -60.68 -37.25 80.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.05 -55.93 8.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -58.04 -49.0 78.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.683 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -69.02 -33.06 73.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -78.49 61.14 3.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.1 tmm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.936 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -173.11 -83.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 8' ' ' VAL . 88.4 m-85 41.92 39.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.62 -81.56 0.32 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.476 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 13.5 p-10 174.7 -35.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 0.797 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.93 68.75 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 4' ' ' TYR . 25.5 t -122.15 -66.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.476 ' CE2' ' O ' ' A' ' 6' ' ' ASN . 19.3 p90 -46.97 -41.85 16.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 60.02 156.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.81 -166.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -100.92 -52.57 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -85.12 -45.23 12.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -74.64 -79.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 t 72.94 98.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.4 p90 -119.13 153.34 35.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 108.057 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 18' ' ' ASN . 3.1 t -111.73 -68.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.416 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -147.55 93.43 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -52.04 -53.21 44.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.36 -54.93 3.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -50.35 -40.57 49.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.803 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -54.94 -51.1 67.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -61.49 -46.7 88.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -46.78 -59.8 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.503 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -133.67 135.58 44.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 pp -52.99 -44.32 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.531 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.5 tt -51.36 -32.32 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -40.14 -32.49 0.4 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.59 -50.3 12.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.61 -50.53 73.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.3 tt -54.63 -54.45 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 31' ' ' ILE . 5.1 t -43.34 -36.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.45 58.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.5 t90 -59.21 -57.9 11.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.23 -38.45 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -37.78 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.65 -48.5 28.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.5 mt -57.09 -50.62 72.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.89 68.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.54 73.39 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.718 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.497 ' HD2' ' CE2' ' A' ' 4' ' ' TYR . 7.9 mmt180 -119.85 -173.51 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -167.62 44.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.675 ' HB2' HG21 ' A' ' 8' ' ' VAL . 4.6 m-85 -71.57 -79.35 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.515 1.134 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.75 -35.16 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -92.14 35.71 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.559 ' HA3' ' CH2' ' A' ' 16' ' ' TRP . . . 84.54 -83.19 1.64 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 4' ' ' TYR . 41.2 t 68.75 -64.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.553 0.796 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 7' ' ' GLY . 39.4 p90 -88.97 36.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.071 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HA ' ' CZ2' ' A' ' 16' ' ' TRP . 34.8 m 72.44 173.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.14 -74.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -173.08 -54.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -79.58 -33.22 41.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -152.55 179.42 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 96.9 m -100.67 -101.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -157.31 -47.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.051 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.61 HG12 ' N ' ' A' ' 18' ' ' ASN . 3.0 t 64.11 -79.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.61 ' N ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -132.59 92.04 3.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -52.04 5.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.67 -57.35 1.56 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -50.09 -47.83 53.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -51.85 67.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.22 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -55.25 -67.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -47.88 -42.69 27.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -50.1 134.42 22.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.5 mt -70.05 -45.32 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.24 -35.93 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 43.02 90.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.72 -55.24 6.07 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.05 -51.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.42 22.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.615 1.197 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 34.2 t -44.83 -35.86 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 -36.54 40.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.5 t90 -61.8 -58.76 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -59.9 -41.16 91.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 29.1 t -62.12 -34.03 75.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.17 -55.79 8.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 39' ' ' ALA . 3.7 pp -65.66 -51.03 62.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.565 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -67.28 -29.35 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -39.27 -39.34 1.04 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.0 ttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.031 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 143.16 56.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.478 ' O ' HG11 ' A' ' 8' ' ' VAL . 39.6 t -167.26 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.919 ' HB2' HG11 ' A' ' 8' ' ' VAL . 63.2 m-85 37.71 48.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 79.61 -112.58 3.48 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -138.28 107.18 5.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.517 ' C ' HG12 ' A' ' 8' ' ' VAL . . . 119.63 90.44 1.26 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.919 HG11 ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER 179.1 -83.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.453 0.737 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.651 ' N ' HG22 ' A' ' 8' ' ' VAL . 19.2 p90 -43.84 -33.06 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.9 m 66.87 160.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 108.268 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.441 ' HB2' ' CZ3' ' A' ' 16' ' ' TRP . 55.1 t30 -86.17 -68.12 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -158.5 -67.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.82 -49.02 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.378 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -86.18 -142.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 16' ' ' TRP . 5.4 t -170.5 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.08 . . . . 0.0 108.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.598 ' O ' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER 63.66 126.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.1 p -113.51 -45.3 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -102.69 115.89 31.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -98.32 -55.53 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.48 153.39 23.01 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -66.32 -13.38 60.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.741 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.0 66.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 24' ' ' GLN . 15.0 t -78.12 -52.35 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.435 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 23' ' ' THR . 21.2 mt-30 -41.43 -54.82 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -136.54 130.1 31.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.6 pp -70.1 -43.14 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -55.94 -35.99 42.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.76 97.67 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.08 -51.45 8.89 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -52.02 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.386 0.698 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.56 -54.53 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.1 t -41.74 -35.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.65 -42.47 39.63 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.4 t90 -58.77 -55.42 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -60.46 -37.58 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -34.06 77.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.35 -55.95 8.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -65.64 -50.47 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.624 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -66.39 -28.79 68.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.61 -38.21 2.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 58.95 115.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.418 ' O ' HG11 ' A' ' 8' ' ' VAL . 14.2 p -144.42 -87.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 42.58 -162.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.26 -170.51 14.92 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.3 t30 65.86 44.51 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.746 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 16' ' ' TRP . . . 52.66 62.57 5.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.418 HG11 ' O ' ' A' ' 3' ' ' SER . 0.3 OUTLIER -78.35 -35.0 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.13 55.29 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' HA ' ' CZ2' ' A' ' 16' ' ' TRP . 5.8 m 63.01 174.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 108.342 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 63.2 t30 -86.38 -66.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 m120 -160.9 -66.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -98.05 -35.61 10.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.02 -158.78 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.541 ' C ' ' CG ' ' A' ' 16' ' ' TRP . 8.4 t -173.54 38.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 108.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CZ2' ' HA3' ' A' ' 7' ' ' GLY . 0.9 OUTLIER 73.61 -75.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.055 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 t 63.22 128.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 40.97 87.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -107.94 -43.47 4.43 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.42 1.075 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.615 ' O ' HG22 ' A' ' 23' ' ' THR . . . -58.37 -66.56 2.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -50.02 -33.98 19.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 0.729 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.7 67.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 20' ' ' GLY . 5.2 t -72.84 -38.15 67.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -50.78 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.6 146.08 19.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.016 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -36.72 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -35.2 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.422 ' HA3' HG22 ' A' ' 31' ' ' ILE . . . 95.58 110.67 2.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.095 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.9 -45.88 25.31 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -61.38 -51.91 66.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 32' ' ' SER . 8.2 tt -54.69 -54.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -42.42 -35.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.47 -40.31 33.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.427 1.079 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.0 t90 -61.05 -56.94 15.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.81 -39.76 86.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -57.9 -37.28 73.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.77 -51.35 20.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.8 mt -58.16 -50.55 73.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.92 67.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.21 60.12 3.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.733 . . . . 0.0 110.943 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.409 ' HG2' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 60.93 143.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -175.28 -79.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.848 ' CD2' HG11 ' A' ' 8' ' ' VAL . 80.0 m-85 45.9 84.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 111.018 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 40.13 -96.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 4' ' ' TYR . 20.8 p-10 -154.79 126.25 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.773 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 112.66 63.37 0.46 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.499 1.125 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.848 HG11 ' CD2' ' A' ' 4' ' ' TYR . 5.0 t -162.28 -44.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.746 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' VAL . 56.4 m-85 -37.22 -62.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 m 58.84 106.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.185 . . . . 0.0 108.334 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -72.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 13' ' ' LYS . 1.8 p-10 -179.06 -52.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -97.51 -48.93 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' ' HE2' ' A' ' 13' ' ' LYS . 7.9 mtmm -60.93 -69.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t 66.64 123.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 108.34 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -130.68 160.68 33.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.026 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p -163.52 -44.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.628 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 63.4 t30 -103.54 91.27 3.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 4.6 mtp180 -107.88 -44.76 4.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -70.9 0.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 25' ' ' SER . 2.3 tp10 -57.03 -22.07 35.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 18' ' ' ASN . . . -65.17 -51.53 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -85.24 -43.59 13.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.371 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -52.62 -51.88 57.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 59.5 p -58.36 129.97 44.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.068 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.48 -40.59 88.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -35.51 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.11 95.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.99 -50.38 10.96 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG3' ' HB1' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -57.48 -51.79 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 110.96 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.57 -54.5 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.1 t -42.23 -35.5 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.06 -42.43 51.58 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.7 t90 -55.49 -50.98 68.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -66.41 -35.04 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -65.42 -34.22 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.02 -49.41 13.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.6 mt -55.82 -50.99 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 0.714 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.29 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.12 62.06 2.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.3 OUTLIER -81.06 -76.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER 83.36 81.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -118.25 -57.09 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.71 -144.9 4.91 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.407 1.067 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 19' ' ' ARG . 13.2 t30 -81.36 70.07 8.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.44 134.52 8.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.647 HG22 ' N ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -156.84 -84.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.647 ' N ' HG22 ' A' ' 8' ' ' VAL . 8.0 p90 -39.45 -41.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 66.6 m -155.37 145.53 21.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.351 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.534 ' ND2' ' CH2' ' A' ' 16' ' ' TRP . 2.8 t-20 -57.7 -64.51 0.88 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -168.4 -64.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.65 -29.23 13.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -89.29 -151.9 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -169.96 124.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.329 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.534 ' CH2' ' ND2' ' A' ' 11' ' ' ASN . 0.7 OUTLIER -139.87 -168.3 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 108.03 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.12 120.26 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 t30 60.65 111.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -56.6 -28.0 59.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.77 -79.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.466 1.104 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -50.22 -34.72 23.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.594 0.82 . . . . 0.0 110.252 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.42 78.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -65.34 -43.05 92.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -49.8 -62.26 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 30' ' ' MET . 3.9 p -127.09 139.6 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.033 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 mt -69.91 -50.07 51.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.831 HD11 ' HG2' ' A' ' 30' ' ' MET . 4.7 pt -71.6 -36.15 58.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.737 ' O ' HG22 ' A' ' 31' ' ' ILE . . . 89.5 -26.38 9.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.0 -11.74 81.36 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.831 ' HG2' HD11 ' A' ' 27' ' ' ILE . 4.2 mmt -55.73 -35.83 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 28' ' ' GLY . 8.2 tt -54.42 -54.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -44.96 -44.2 9.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.9 -41.18 98.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -56.51 -55.13 37.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -61.46 -36.42 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -36.44 76.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.97 -45.9 24.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.577 1.173 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 35' ' ' ALA . 6.8 mt -60.87 -51.02 71.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.8 66.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.7 71.62 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.417 0.716 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -78.64 162.74 26.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER 164.61 -42.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 37.78 30.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 3' ' ' SER . . . 76.91 143.18 1.54 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.437 1.086 . . . . 0.0 111.093 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.473 ' CG ' ' CB ' ' A' ' 22' ' ' ALA . 3.2 t-20 73.42 -66.77 0.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 152.53 108.0 0.35 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -94.98 -41.22 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 0.716 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.569 ' CE2' ' HA2' ' A' ' 7' ' ' GLY . 1.1 p90 -36.58 -44.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 9' ' ' TYR . 37.9 t 58.26 162.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -104.88 -80.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -166.8 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.48 -34.99 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 16' ' ' TRP . 10.6 mtmm -70.31 -56.79 5.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.44 26.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.383 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CD1' ' HD2' ' A' ' 19' ' ' ARG . 6.3 m-90 63.69 86.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.567 HG23 ' H ' ' A' ' 18' ' ' ASN . 7.1 m -40.42 -58.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.567 ' H ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -141.53 124.81 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 16' ' ' TRP . 3.3 mtp180 -108.03 -52.55 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 23' ' ' THR . . . -173.2 -131.78 1.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -13.63 60.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' CB ' ' CG ' ' A' ' 6' ' ' ASN . . . -56.75 -51.73 67.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.195 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 20' ' ' GLY . 5.7 t -73.14 -37.89 66.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -47.34 -56.92 5.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.302 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.9 p -106.57 130.01 54.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -69.81 -37.75 74.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -35.87 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' HA3' HG22 ' A' ' 31' ' ' ILE . . . 133.47 127.42 2.77 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.12 -49.84 11.85 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.36 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.736 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.38 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.0 t -42.83 -36.0 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.14 -40.48 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.79 -56.72 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.93 -38.06 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -36.44 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.84 -46.84 21.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.7 mt -60.66 -51.07 70.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -26.91 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.6 62.21 3.87 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.6 mtp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.455 0.738 . . . . 0.0 110.967 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 3' ' ' SER . 2.6 ttt180 -73.99 171.32 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.488 ' HA ' ' CE2' ' A' ' 9' ' ' TYR . 3.3 t 166.35 -72.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.413 ' HB2' HG21 ' A' ' 8' ' ' VAL . 99.2 m-85 39.07 38.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.86 -154.05 16.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -91.8 -35.76 13.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.349 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . -91.55 -131.46 5.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.413 HG21 ' HB2' ' A' ' 4' ' ' TYR . 18.9 t 70.13 -62.18 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 39.4 p90 -93.03 -44.21 8.52 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.556 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 78.3 m 47.87 -171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.408 ' CB ' ' HE2' ' A' ' 14' ' ' LYS . 1.4 t30 -105.82 -69.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.517 ' ND2' ' H ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -158.58 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.517 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -98.03 -28.69 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HE2' ' CB ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -81.58 -148.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' TRP . 0.8 OUTLIER 169.42 43.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.612 ' C ' HG23 ' A' ' 17' ' ' VAL . 1.3 m-90 50.64 -177.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.053 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG23 ' C ' ' A' ' 16' ' ' TRP . 2.1 t 73.74 16.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -173.96 44.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.626 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 69.5 mtm180 -85.86 -56.78 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.69 ' O ' HG22 ' A' ' 23' ' ' THR . . . -56.57 -56.72 23.13 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.1 -31.27 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -59.65 -51.81 68.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 20' ' ' GLY . 10.4 t -71.85 -24.06 61.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -62.71 -53.62 51.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -50.88 136.41 22.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.941 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.9 mt -56.28 -43.71 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.229 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.52 -35.16 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.448 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 73.04 107.11 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.89 -48.73 15.47 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmm -60.95 -49.7 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 32' ' ' SER . 9.0 tt -54.44 -55.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -42.87 -36.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.64 -40.38 66.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.5 t90 -57.26 -51.28 69.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -64.31 -35.67 81.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -35.9 78.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.99 17.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.5 mt -56.61 -50.86 70.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.22 67.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.84 65.43 2.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.726 ' HD2' HG12 ' A' ' 8' ' ' VAL . 7.7 mtt180 -140.69 -173.83 3.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.2 OUTLIER 161.89 87.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.87 ' HB2' HG21 ' A' ' 8' ' ' VAL . 51.9 m-85 -138.85 72.98 1.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.64 -105.25 2.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.547 ' O ' ' CZ ' ' A' ' 9' ' ' TYR . 46.7 m-20 -128.83 -45.51 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . -85.04 -133.36 2.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.87 HG21 ' HB2' ' A' ' 4' ' ' TYR . 38.9 t 68.31 -68.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.626 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 39.2 p90 -84.34 -45.69 12.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.626 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 60.41 154.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 108.376 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.489 ' HB2' ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -72.49 -161.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -96.02 -70.77 0.7 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -36.81 59.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -75.45 -67.12 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.192 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 12.3 t 52.98 85.35 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 108.295 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.489 ' CZ3' ' HB2' ' A' ' 11' ' ' ASN . 39.9 p90 -104.03 171.63 7.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 108.01 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.1 -63.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.0 92.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -84.11 7.11 19.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.6 -70.28 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -28.65 19.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.1 -51.52 66.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 m -71.86 -46.0 59.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.404 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -41.51 -57.24 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.54 143.55 26.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -69.75 -40.54 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.9 pp -53.91 -33.97 24.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA2' ' CG2' ' A' ' 31' ' ' ILE . . . -37.94 -35.41 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.05 -48.01 16.96 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ILE . 2.1 mmt -64.13 -49.57 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 0.732 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.2 tt -54.59 -54.39 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -43.11 -37.19 1.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.027 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.68 -39.52 66.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.2 t90 -58.19 -53.85 53.64 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.482 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -61.43 -36.73 81.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -68.65 -34.11 75.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.933 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.86 -54.56 21.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.428 1.08 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.694 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -60.08 -32.96 71.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 73.95 0.51 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.56 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -41.44 142.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t 175.55 -78.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.614 ' HB2' HG21 ' A' ' 8' ' ' VAL . 91.4 m-85 55.88 106.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.13 -85.48 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.438 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 11.8 p-10 -166.63 72.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.656 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 100.35 140.95 11.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 7' ' ' GLY . 2.2 t -159.86 -45.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.733 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 36.3 p90 -86.42 -45.73 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.596 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 43.4 t -179.94 162.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 16' ' ' TRP . 7.8 t-20 -94.33 162.19 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.47 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -40.39 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.02 -49.1 4.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -67.14 -175.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.83 84.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.346 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -43.29 -53.24 5.33 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 18' ' ' ASN . 7.5 t 64.0 -80.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.557 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.7 OUTLIER -134.69 98.85 4.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 32.0 mtp180 -78.6 -44.79 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.07 -71.6 0.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' CG ' ' HB3' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -50.42 -39.06 46.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 0.741 . . . . 0.0 110.248 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -60.3 -48.56 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.36 -68.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.157 . . . . 0.0 110.45 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -43.74 -41.94 5.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.245 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.5 131.28 13.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 110.026 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -69.65 -42.28 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 tt -54.81 -32.47 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.75 110.79 3.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.63 -48.5 17.41 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.7 mmt -58.01 -50.51 73.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 111.045 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 32' ' ' SER . 9.1 tt -54.58 -55.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -43.05 -36.19 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.073 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.47 54.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.63 -57.8 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.37 -38.75 77.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -37.28 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.34 -49.68 24.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.2 mt -57.79 -51.01 71.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.74 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.374 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.07 59.12 3.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.369 1.043 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.0 mtt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' HG3' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -157.2 -171.76 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 9' ' ' TYR . 38.5 p -169.8 -48.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.749 ' CD1' HG11 ' A' ' 8' ' ' VAL . 93.5 m-85 37.71 88.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 44.69 -93.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' TYR . 54.9 m-80 -154.0 128.43 9.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.415 0.715 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.813 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 103.83 64.63 0.69 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 7' ' ' GLY . 3.2 t -163.58 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.527 0.78 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 3' ' ' SER . 50.3 m-85 -36.79 -45.78 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 63.07 141.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -114.16 -86.62 0.59 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -158.22 -85.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -45.74 -33.24 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -151.09 174.48 13.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -91.59 -76.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.22 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 166.81 65.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 107.978 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -49.15 -47.38 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.6 148.49 33.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -105.98 -56.45 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.44 -61.77 0.3 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.22 -39.52 44.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.269 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.27 -51.39 66.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 m -60.32 -52.48 65.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.38 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -42.38 -55.2 3.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -51.31 130.68 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.027 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.05 -39.06 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 pt -56.01 -35.29 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 59.42 93.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.97 -56.51 5.28 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.0 mmt -56.56 -51.81 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.58 -54.53 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.445 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -44.59 -36.02 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.046 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.13 -35.83 52.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.6 t90 -60.78 -58.16 9.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.18 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 m -62.1 -34.37 76.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.57 -55.01 12.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.697 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.4 pp -63.92 -48.82 75.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.697 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -66.66 -30.63 70.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -69.88 73.03 0.52 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 143.62 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -173.38 -44.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.626 ' CD2' HG21 ' A' ' 8' ' ' VAL . 59.1 m-85 49.15 -179.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.23 -68.65 1.33 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -179.08 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.35 46.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.471 1.107 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.711 HG12 ' N ' ' A' ' 9' ' ' TYR . 3.4 t -143.59 -84.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.711 ' N ' HG12 ' A' ' 8' ' ' VAL . 24.3 p90 -37.85 -45.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' N ' ' CD2' ' A' ' 9' ' ' TYR . 1.6 m 65.61 168.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' ND2' ' OD1' ' A' ' 12' ' ' ASN . 9.8 p-10 -74.68 -45.82 41.95 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' OD1' ' ND2' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -161.49 -86.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -94.47 -49.1 5.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -93.21 -145.42 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.608 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.38 -85.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 108.271 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.639 ' CE3' ' NH2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -177.49 -167.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.74 -55.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.12 119.55 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.639 ' NH2' ' CE3' ' A' ' 16' ' ' TRP . 9.4 ttm180 -97.61 -56.06 2.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 173.49 -50.39 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.19 -47.59 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -40.92 99.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -66.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.56 -29.06 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.15 130.02 21.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -68.66 -36.13 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.44 -35.76 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 48.11 98.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.99 -46.68 21.66 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mmt -60.74 -51.78 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 111.064 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.5 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.447 ' N ' HG23 ' A' ' 31' ' ' ILE . 18.7 t -43.29 -35.72 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -73.81 -39.04 48.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.61 -58.2 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -58.95 -39.19 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 t -66.12 -33.97 77.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -68.78 -55.92 10.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -55.69 -50.48 70.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.85 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -68.06 -29.29 68.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.9 66.0 3.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.455 ' O ' ' NE ' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 39.18 -160.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -177.18 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.664 ' HB2' HG21 ' A' ' 8' ' ' VAL . 28.7 m-85 40.52 86.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 49.49 -92.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' TYR . 2.5 t-20 -150.74 154.05 36.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.741 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 74.93 69.55 1.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 7' ' ' GLY . 3.5 t -161.17 -73.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CD2' ' N ' ' A' ' 10' ' ' CYS . 28.8 p90 -50.23 -45.95 54.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.172 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.525 ' N ' ' CD2' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 70.86 141.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 108.257 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -69.6 -66.11 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -164.85 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -35.12 10.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -86.47 -160.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.2 120.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.3 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.4 p90 -112.4 164.03 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 108.088 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 p -171.31 -41.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -118.96 88.1 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 6.3 mtp180 -107.61 -55.38 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.78 -58.75 12.52 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.498 1.124 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -50.43 -39.2 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 110.331 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -55.29 -51.08 67.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -62.73 -45.03 94.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.358 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -48.03 -50.57 27.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.9 m -51.19 147.22 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.958 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tt -67.77 -44.91 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.3 -33.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 41.86 90.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.95 -56.23 5.43 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.9 mmm -57.48 -51.36 69.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.6 -54.46 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 43.4 t -42.06 -35.23 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.065 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.97 -41.42 32.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.9 t90 -59.96 -55.05 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -61.48 -38.36 86.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.69 -55.89 17.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -57.8 -39.02 76.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.585 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -65.44 -33.04 75.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.07 73.61 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.04 161.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -178.86 -47.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.07 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.659 ' HB2' HG21 ' A' ' 8' ' ' VAL . 61.4 m-85 37.65 78.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 37.91 43.06 1.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.09 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.9 m120 63.7 168.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.888 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 60.18 75.47 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 7' ' ' GLY . 2.1 t -169.63 -42.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -88.76 38.27 0.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.89 86.61 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.49 -173.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -89.61 -67.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -35.71 82.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 16' ' ' TRP . 23.8 mtmm -90.0 -96.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 1.3 t 91.49 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.245 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 14' ' ' LYS . 31.7 m-90 66.36 85.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 108.034 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.498 HG13 ' OD1' ' A' ' 18' ' ' ASN . 7.4 p -56.58 -43.57 78.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.498 ' OD1' HG13 ' A' ' 17' ' ' VAL . 10.0 p30 -149.27 102.31 3.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' CD ' ' HB3' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -54.7 -57.0 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 110.339 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.56 -53.23 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -50.18 -49.09 53.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.31 -46.44 79.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.64 -64.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -55.74 -33.14 63.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.4 156.85 1.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.6 mt -66.24 -46.84 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.739 ' C ' HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -53.68 -31.69 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.408 ' N ' HD12 ' A' ' 27' ' ' ILE . . . -44.45 -34.74 3.66 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.98 -43.76 32.72 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.78 -50.94 64.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.3 tt -54.57 -54.48 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 3.8 t -42.77 -36.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.99 -40.42 57.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.69 -56.71 18.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.627 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.09 -37.91 78.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -36.11 75.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.53 24.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.7 mt -58.16 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.15 65.86 1.91 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.966 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.536 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 78.6 mtt180 -118.84 160.78 21.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 4' ' ' TYR . 90.7 p -130.74 5.64 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 3' ' ' SER . 5.8 m-85 -37.09 -63.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.056 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -142.14 168.76 25.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.423 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 3.2 t30 -61.34 83.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.343 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' GLY . . . 106.51 96.53 2.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.639 HG22 ' N ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -142.36 -81.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.639 ' N ' HG22 ' A' ' 8' ' ' VAL . 6.0 p90 -37.19 -39.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HB3' ' CZ2' ' A' ' 16' ' ' TRP . 1.1 m -58.34 -170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.81 -85.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 167.26 -41.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' CE ' ' HE2' ' A' ' 14' ' ' LYS . 1.8 pttt -98.21 -38.79 9.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.614 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -115.67 -155.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 16' ' ' TRP . 5.3 t 83.67 14.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 108.257 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.614 ' CE3' ' O ' ' A' ' 14' ' ' LYS . 3.6 m-90 -156.75 44.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.038 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p 40.77 48.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.25 89.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -100.35 -18.23 16.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 23' ' ' THR . . . -69.14 -69.75 1.32 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -50.06 -27.67 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.25 53.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 20' ' ' GLY . 15.2 t -74.75 -38.4 62.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.417 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -54.64 -59.17 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.7 p -77.91 140.78 39.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 mt -68.13 -49.18 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.2 tt -51.1 -35.8 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' HA2' ' CG2' ' A' ' 31' ' ' ILE . . . -38.51 -35.93 0.37 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.53 -47.31 22.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ILE . 4.2 mmt -63.59 -50.18 70.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.3 tt -54.62 -54.44 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 31' ' ' ILE . 4.3 t -44.03 -36.78 2.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.9 -37.56 56.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.37 -52.69 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -64.68 -37.27 87.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.34 -36.59 78.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.36 -49.86 18.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 35' ' ' ALA . 6.2 mt -56.49 -50.96 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.81 66.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.04 66.91 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.497 ' HG2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 61.48 129.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.209 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -153.28 -45.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.54 ' HB2' HG21 ' A' ' 8' ' ' VAL . 35.7 m-85 53.09 172.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -40.61 -72.0 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -163.07 140.13 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 87.94 62.96 1.41 Allowed Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.629 HG12 ' N ' ' A' ' 9' ' ' TYR . 6.2 t -151.27 -83.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 0.791 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.629 ' N ' HG12 ' A' ' 8' ' ' VAL . 14.8 p90 -37.94 -46.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.456 ' N ' ' CD2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 54.05 176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 108.279 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.522 ' HB2' ' CZ3' ' A' ' 16' ' ' TRP . 59.5 t30 -81.7 -56.53 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -165.08 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -93.08 -32.99 14.26 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -142.4 176.4 9.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.556 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 54.9 m -100.61 -99.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.75 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.8 OUTLIER 168.62 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 16' ' ' TRP . 6.2 p 50.68 178.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.675 ' H ' HG22 ' A' ' 17' ' ' VAL . 11.2 m120 -58.53 99.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.456 ' CD ' ' HB3' ' A' ' 15' ' ' CYS . 1.9 mtp85 -91.07 14.95 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.43 -64.9 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -50.43 -41.55 52.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 0.732 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.35 72.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -59.27 -40.0 84.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.457 ' HB3' HG21 ' A' ' 31' ' ' ILE . 39.8 mm-40 -64.43 -74.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 t -157.54 171.9 19.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG13 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -55.07 -43.25 69.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 30' ' ' MET . 0.5 OUTLIER -83.15 -36.52 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.96 -50.4 3.9 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.38 -42.75 33.33 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.642 ' HB2' HD13 ' A' ' 27' ' ' ILE . 7.0 mmt -55.95 -53.12 60.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.457 HG21 ' HB3' ' A' ' 24' ' ' GLN . 8.3 tt -54.83 -54.51 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 31' ' ' ILE . 55.4 m -43.28 -34.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.48 -40.6 54.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ILE . 12.4 t90 -58.59 -53.45 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -61.81 -37.26 83.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -37.01 74.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.02 12.01 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.446 1.092 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.3 mt -55.24 -50.73 68.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.34 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.87 64.47 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.43 0.724 . . . . 0.0 110.962 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -50.87 141.11 13.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 5' ' ' GLY . 8.0 t -174.36 -41.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.971 ' CD1' HG11 ' A' ' 8' ' ' VAL . 45.7 m-85 54.36 -86.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 3' ' ' SER . . . -137.63 -70.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -149.41 101.51 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.36 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.612 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 71.12 122.41 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.971 HG11 ' CD1' ' A' ' 4' ' ' TYR . 3.4 t -157.22 -66.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -51.37 -20.51 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER 71.79 144.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 12' ' ' ASN . 10.0 t-20 -67.49 -83.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.498 ' ND2' ' H ' ' A' ' 13' ' ' LYS . 0.7 OUTLIER 174.98 -48.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -97.98 -49.63 4.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 109.367 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -73.76 -48.17 33.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.389 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.623 ' SG ' HG23 ' A' ' 17' ' ' VAL . 4.5 t 41.68 82.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 108.329 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.48 ' HE1' ' N ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -43.08 -57.87 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 108.083 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.623 HG23 ' SG ' ' A' ' 15' ' ' CYS . 4.8 t 64.04 -81.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.599 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -135.6 89.26 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 5.6 ptm180 -108.06 -18.47 13.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.61 -54.17 25.8 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 2.4 pp20? -55.27 -37.42 67.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -62.0 -50.53 71.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -57.47 -65.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' CG ' ' HA ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -50.45 -29.56 10.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 24.5 m -75.94 134.67 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.56 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -49.62 -40.91 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.389 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.618 ' O ' HG22 ' A' ' 31' ' ' ILE . 2.7 pt -54.62 -28.14 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 27' ' ' ILE . . . -37.76 -35.94 0.27 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.9 -53.04 7.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -50.96 70.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.3 tt -54.62 -54.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 31' ' ' ILE . 16.9 m -42.52 -36.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -71.83 -40.95 57.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.68 -58.67 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -57.22 -38.25 73.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -69.07 -55.99 9.72 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -55.45 -50.32 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.822 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -68.45 -28.9 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.55 67.76 2.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 154.68 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m 170.78 43.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.401 ' CD1' HG11 ' A' ' 8' ' ' VAL . 80.8 m-85 -77.76 98.84 5.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 111.069 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASN . . . 39.75 42.49 2.1 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 6' ' ' ASN . 0.8 OUTLIER 46.18 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 150.84 62.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 7' ' ' GLY . 2.1 t -164.9 -43.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -88.13 40.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -56.51 -167.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.25 -69.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 14' ' ' LYS . 2.6 m-80 -109.24 -154.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -25.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -137.2 163.17 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 91.8 m -74.22 -105.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' VAL . 1.2 m-90 -103.84 -167.02 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG13 ' H ' ' A' ' 18' ' ' ASN . 2.6 p -37.61 -57.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.555 ' H ' HG13 ' A' ' 17' ' ' VAL . 34.6 p-10 -161.23 60.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.77 -18.14 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -134.1 0.1 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.429 1.081 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -50.11 -23.56 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 18' ' ' ASN . . . -54.68 -51.19 66.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -81.63 -55.56 4.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -41.65 -58.06 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.66 130.14 54.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.19 -37.86 78.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.1 tt -57.96 -35.92 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 45.81 90.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.0 -57.71 4.71 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mmt -56.37 -51.01 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.53 -54.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 1.6 m -42.67 -36.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.85 60.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.3 t90 -57.82 -53.72 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.46 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.39 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -36.28 75.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.86 -49.44 13.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.17 -50.93 69.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.35 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 60.34 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -89.2 157.21 18.34 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.9 OUTLIER 164.16 43.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.013 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -77.28 121.69 24.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.27 -113.49 5.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -58.49 4.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 8' ' ' VAL . . . -163.64 -54.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 80.13 -52.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.763 . . . . 0.0 109.203 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 44.5 p90 -56.42 -44.05 80.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.643 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 176.13 -167.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.271 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 16' ' ' TRP . 1.5 t-20 -117.46 -69.05 0.87 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.58 -65.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.86 -35.71 10.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.56 -176.56 3.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 77.0 m -111.3 -99.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.34 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -179.51 -169.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -131.98 -62.24 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.39 107.7 1.8 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.574 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 2.5 ttp180 -67.53 -33.3 74.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -41.94 -67.48 0.84 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -31.4 66.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -60.26 -51.97 67.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.01 -67.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -48.12 -34.42 9.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.493 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -50.08 158.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -64.34 -38.9 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.1 tt -54.41 -24.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.44 -37.91 1.9 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.35 -47.91 15.76 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -52.03 67.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.2 tt -54.45 -54.44 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -41.03 -35.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.67 -43.51 35.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.8 t90 -58.98 -56.64 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.04 -37.95 78.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.1 t -59.27 -37.25 77.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.01 -49.16 29.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.6 mt -59.35 -51.03 71.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.587 0.816 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.75 -27.05 68.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.5 59.03 4.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -51.97 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.44 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.67 -54.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 31' ' ' ILE . 47.2 t -42.33 -35.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.65 -41.49 50.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.9 t90 -58.18 -55.27 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -60.68 -37.25 80.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.05 -55.93 8.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -58.04 -49.0 78.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.683 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -69.02 -33.06 73.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -78.49 61.14 3.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.1 tmm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.936 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.61 -50.53 73.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.44 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.63 -54.45 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 31' ' ' ILE . 5.1 t -43.34 -36.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.45 58.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.5 t90 -59.21 -57.9 11.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.23 -38.45 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -37.78 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.65 -48.5 28.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.5 mt -57.09 -50.62 72.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.89 68.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.54 73.39 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.718 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.05 -51.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.42 22.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.615 1.197 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 34.2 t -44.83 -35.86 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 -36.54 40.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.5 t90 -61.8 -58.76 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -59.9 -41.16 91.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 29.1 t -62.12 -34.03 75.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.17 -55.79 8.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 39' ' ' ALA . 3.7 pp -65.66 -51.03 62.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.565 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -67.28 -29.35 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -39.27 -39.34 1.04 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.0 ttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.031 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -52.02 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.386 0.698 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.56 -54.53 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.1 t -41.74 -35.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.65 -42.47 39.63 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.4 t90 -58.77 -55.42 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -60.46 -37.58 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -34.06 77.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.35 -55.95 8.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -65.64 -50.47 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.624 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -66.39 -28.79 68.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.61 -38.21 2.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -61.38 -51.91 66.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 32' ' ' SER . 8.2 tt -54.69 -54.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -42.42 -35.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.47 -40.31 33.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.427 1.079 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.0 t90 -61.05 -56.94 15.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.81 -39.76 86.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -57.9 -37.28 73.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.77 -51.35 20.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.8 mt -58.16 -50.55 73.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.92 67.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.21 60.12 3.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.733 . . . . 0.0 110.943 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -51.79 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.57 -54.5 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.1 t -42.23 -35.5 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.06 -42.43 51.58 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.7 t90 -55.49 -50.98 68.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -66.41 -35.04 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -65.42 -34.22 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.02 -49.41 13.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.6 mt -55.82 -50.99 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 0.714 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.29 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.12 62.06 2.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.73 -35.83 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 32' ' ' SER . 8.2 tt -54.42 -54.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -44.96 -44.2 9.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.9 -41.18 98.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -56.51 -55.13 37.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -61.46 -36.42 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -36.44 76.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.97 -45.9 24.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.577 1.173 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 35' ' ' ALA . 6.8 mt -60.87 -51.02 71.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.8 66.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.7 71.62 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.417 0.716 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.36 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.736 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.38 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.0 t -42.83 -36.0 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.14 -40.48 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.79 -56.72 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.93 -38.06 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -36.44 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.84 -46.84 21.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.7 mt -60.66 -51.07 70.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -26.91 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.6 62.21 3.87 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.6 mtp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.455 0.738 . . . . 0.0 110.967 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmm -60.95 -49.7 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 32' ' ' SER . 9.0 tt -54.44 -55.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -42.87 -36.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.64 -40.38 66.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.5 t90 -57.26 -51.28 69.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -64.31 -35.67 81.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -35.9 78.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.99 17.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.5 mt -56.61 -50.86 70.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.22 67.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.84 65.43 2.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 mmt -64.13 -49.57 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 0.732 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.2 tt -54.59 -54.39 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -43.11 -37.19 1.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.027 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.68 -39.52 66.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.2 t90 -58.19 -53.85 53.64 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.482 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -61.43 -36.73 81.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -68.65 -34.11 75.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.933 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.86 -54.56 21.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.428 1.08 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.694 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -60.08 -32.96 71.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 73.95 0.51 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.7 mmt -58.01 -50.51 73.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 111.045 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 32' ' ' SER . 9.1 tt -54.58 -55.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -43.05 -36.19 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.073 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.47 54.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.63 -57.8 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.37 -38.75 77.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -37.28 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.34 -49.68 24.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.2 mt -57.79 -51.01 71.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.74 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.374 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.07 59.12 3.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.369 1.043 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.0 mtt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.0 mmt -56.56 -51.81 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.58 -54.53 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.445 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -44.59 -36.02 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.046 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.13 -35.83 52.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.6 t90 -60.78 -58.16 9.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.18 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 m -62.1 -34.37 76.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.57 -55.01 12.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.697 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.4 pp -63.92 -48.82 75.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.697 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -66.66 -30.63 70.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -69.88 73.03 0.52 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mmt -60.74 -51.78 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 111.064 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.5 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.447 ' N ' HG23 ' A' ' 31' ' ' ILE . 18.7 t -43.29 -35.72 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -73.81 -39.04 48.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.61 -58.2 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -58.95 -39.19 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 t -66.12 -33.97 77.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -68.78 -55.92 10.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -55.69 -50.48 70.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.85 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -68.06 -29.29 68.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.9 66.0 3.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.9 mmm -57.48 -51.36 69.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.6 -54.46 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 43.4 t -42.06 -35.23 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.065 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.97 -41.42 32.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.9 t90 -59.96 -55.05 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -61.48 -38.36 86.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.69 -55.89 17.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -57.8 -39.02 76.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.585 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -65.44 -33.04 75.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.07 73.61 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.78 -50.94 64.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.57 -54.48 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 3.8 t -42.77 -36.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.99 -40.42 57.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.69 -56.71 18.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.627 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.09 -37.91 78.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -36.11 75.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.53 24.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.7 mt -58.16 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.15 65.86 1.91 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.966 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 mmt -63.59 -50.18 70.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.62 -54.44 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 31' ' ' ILE . 4.3 t -44.03 -36.78 2.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.9 -37.56 56.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.37 -52.69 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -64.68 -37.27 87.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.34 -36.59 78.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.36 -49.86 18.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 35' ' ' ALA . 6.2 mt -56.49 -50.96 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.81 66.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.04 66.91 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.0 mmt -55.95 -53.12 60.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.83 -54.51 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 31' ' ' ILE . 55.4 m -43.28 -34.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.48 -40.6 54.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ILE . 12.4 t90 -58.59 -53.45 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -61.81 -37.26 83.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -37.01 74.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.02 12.01 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.446 1.092 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.3 mt -55.24 -50.73 68.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.34 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.87 64.47 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.43 0.724 . . . . 0.0 110.962 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -50.96 70.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.62 -54.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 31' ' ' ILE . 16.9 m -42.52 -36.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -71.83 -40.95 57.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.68 -58.67 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -57.22 -38.25 73.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -69.07 -55.99 9.72 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -55.45 -50.32 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.822 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -68.45 -28.9 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.55 67.76 2.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mmt -56.37 -51.01 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.53 -54.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 1.6 m -42.67 -36.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.85 60.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.3 t90 -57.82 -53.72 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.46 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.39 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -36.28 75.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.86 -49.44 13.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.17 -50.93 69.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.35 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 60.34 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -52.03 67.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' TRP . 8.2 tt -54.45 -54.44 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -41.03 -35.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.67 -43.51 35.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.8 t90 -58.98 -56.64 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.04 -37.95 78.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.1 t -59.27 -37.25 77.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.01 -49.16 29.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.6 mt -59.35 -51.03 71.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.587 0.816 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.75 -27.05 68.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.5 59.03 4.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.595 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 93.0 mtt180 -151.93 178.84 9.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -173.38 45.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.709 ' HB2' HG21 ' A' ' 8' ' ' VAL . 10.9 m-85 -76.2 -21.86 55.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.35 -132.26 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.411 ' HB2' ' NH2' ' A' ' 19' ' ' ARG . 4.3 m-80 -103.8 73.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 0.774 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . 136.13 -106.56 0.57 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.709 HG21 ' HB2' ' A' ' 4' ' ' TYR . 21.7 t 69.43 -64.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 2' ' ' ARG . 38.7 p90 -89.54 36.1 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.1 m 67.41 171.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.553 ' ND2' HD22 ' A' ' 12' ' ' ASN . 42.3 t30 -71.96 -67.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.553 HD22 ' ND2' ' A' ' 11' ' ' ASN . 63.0 m-80 -166.38 -66.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -35.07 10.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' NZ ' ' ND2' ' A' ' 11' ' ' ASN . 8.0 mtmt -80.61 -149.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m 177.82 105.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.166 . . . . 0.0 108.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -96.06 160.2 14.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.24 133.15 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 49.35 93.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' NH2' ' HB2' ' A' ' 6' ' ' ASN . 5.7 mtm180 -77.43 -56.95 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.35 -56.68 22.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -50.04 -56.33 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.69 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.9 -66.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -53.01 -24.42 9.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.9 139.85 50.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -55.71 -44.39 76.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 tt -52.41 -36.08 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 62.17 94.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.86 -54.5 6.45 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -51.97 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 0.749 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.67 -54.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 31' ' ' ILE . 47.2 t -42.33 -35.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.65 -41.49 50.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.9 t90 -58.18 -55.27 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -60.68 -37.25 80.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.05 -55.93 8.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -58.04 -49.0 78.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.683 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -69.02 -33.06 73.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -78.49 61.14 3.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.1 tmm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.936 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -173.11 -83.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 8' ' ' VAL . 88.4 m-85 41.92 39.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.62 -81.56 0.32 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.476 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 13.5 p-10 174.7 -35.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 0.797 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.93 68.75 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 4' ' ' TYR . 25.5 t -122.15 -66.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.476 ' CE2' ' O ' ' A' ' 6' ' ' ASN . 19.3 p90 -46.97 -41.85 16.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 60.02 156.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -67.81 -166.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 12' ' ' ASN . 1.1 p30 -100.92 -52.57 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -85.12 -45.23 12.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -74.64 -79.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.194 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 t 72.94 98.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.4 p90 -119.13 153.34 35.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 108.057 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 18' ' ' ASN . 3.1 t -111.73 -68.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.416 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -147.55 93.43 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -52.04 -53.21 44.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.36 -54.93 3.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -50.35 -40.57 49.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.803 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -54.94 -51.1 67.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -61.49 -46.7 88.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -46.78 -59.8 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.503 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -133.67 135.58 44.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 pp -52.99 -44.32 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.531 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.5 tt -51.36 -32.32 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -40.14 -32.49 0.4 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.59 -50.3 12.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.61 -50.53 73.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.3 tt -54.63 -54.45 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 31' ' ' ILE . 5.1 t -43.34 -36.34 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.45 58.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.5 t90 -59.21 -57.9 11.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.23 -38.45 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -37.78 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.65 -48.5 28.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.5 mt -57.09 -50.62 72.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.89 68.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.54 73.39 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.718 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.497 ' HD2' ' CE2' ' A' ' 4' ' ' TYR . 7.9 mmt180 -119.85 -173.51 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -167.62 44.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.675 ' HB2' HG21 ' A' ' 8' ' ' VAL . 4.6 m-85 -71.57 -79.35 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.515 1.134 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.75 -35.16 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -92.14 35.71 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.559 ' HA3' ' CH2' ' A' ' 16' ' ' TRP . . . 84.54 -83.19 1.64 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 4' ' ' TYR . 41.2 t 68.75 -64.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.553 0.796 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 7' ' ' GLY . 39.4 p90 -88.97 36.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.071 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HA ' ' CZ2' ' A' ' 16' ' ' TRP . 34.8 m 72.44 173.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.14 -74.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -173.08 -54.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -79.58 -33.22 41.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -152.55 179.42 8.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 96.9 m -100.67 -101.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -157.31 -47.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.051 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.61 HG12 ' N ' ' A' ' 18' ' ' ASN . 3.0 t 64.11 -79.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.61 ' N ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -132.59 92.04 3.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -52.04 5.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.67 -57.35 1.56 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -50.09 -47.83 53.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -51.85 67.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.22 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -55.25 -67.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -47.88 -42.69 27.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -50.1 134.42 22.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.5 mt -70.05 -45.32 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.24 -35.93 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 43.02 90.22 0.01 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.72 -55.24 6.07 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtt -56.05 -51.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.42 22.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.615 1.197 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 34.2 t -44.83 -35.86 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 -36.54 40.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.5 t90 -61.8 -58.76 6.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -59.9 -41.16 91.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 29.1 t -62.12 -34.03 75.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.17 -55.79 8.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 39' ' ' ALA . 3.7 pp -65.66 -51.03 62.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.565 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -67.28 -29.35 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -39.27 -39.34 1.04 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.0 ttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.031 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 143.16 56.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.478 ' O ' HG11 ' A' ' 8' ' ' VAL . 39.6 t -167.26 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.919 ' HB2' HG11 ' A' ' 8' ' ' VAL . 63.2 m-85 37.71 48.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 79.61 -112.58 3.48 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -138.28 107.18 5.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.517 ' C ' HG12 ' A' ' 8' ' ' VAL . . . 119.63 90.44 1.26 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.919 HG11 ' HB2' ' A' ' 4' ' ' TYR . 0.2 OUTLIER 179.1 -83.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.453 0.737 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.651 ' N ' HG22 ' A' ' 8' ' ' VAL . 19.2 p90 -43.84 -33.06 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.9 m 66.87 160.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 108.268 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.441 ' HB2' ' CZ3' ' A' ' 16' ' ' TRP . 55.1 t30 -86.17 -68.12 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.429 HD22 ' ND2' ' A' ' 11' ' ' ASN . 40.8 m-80 -158.5 -67.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.82 -49.02 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.378 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -86.18 -142.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 16' ' ' TRP . 5.4 t -170.5 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.08 . . . . 0.0 108.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.598 ' O ' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER 63.66 126.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.1 p -113.51 -45.3 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -102.69 115.89 31.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -98.32 -55.53 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.48 153.39 23.01 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -66.32 -13.38 60.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.741 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.0 66.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 24' ' ' GLN . 15.0 t -78.12 -52.35 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.435 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 23' ' ' THR . 21.2 mt-30 -41.43 -54.82 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -136.54 130.1 31.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.6 pp -70.1 -43.14 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -55.94 -35.99 42.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.76 97.67 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.08 -51.45 8.89 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -52.02 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.386 0.698 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.56 -54.53 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.1 t -41.74 -35.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.65 -42.47 39.63 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.4 t90 -58.77 -55.42 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -60.46 -37.58 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -34.06 77.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.35 -55.95 8.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -65.64 -50.47 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.624 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -66.39 -28.79 68.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.61 -38.21 2.14 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 58.95 115.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.418 ' O ' HG11 ' A' ' 8' ' ' VAL . 14.2 p -144.42 -87.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 42.58 -162.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.26 -170.51 14.92 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.3 t30 65.86 44.51 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.746 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 16' ' ' TRP . . . 52.66 62.57 5.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.418 HG11 ' O ' ' A' ' 3' ' ' SER . 0.3 OUTLIER -78.35 -35.0 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.13 55.29 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' HA ' ' CZ2' ' A' ' 16' ' ' TRP . 5.8 m 63.01 174.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 108.342 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.496 ' ND2' ' ND2' ' A' ' 12' ' ' ASN . 63.2 t30 -86.38 -66.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.496 ' ND2' ' ND2' ' A' ' 11' ' ' ASN . 1.4 m-80 -160.9 -66.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -98.05 -35.61 10.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.02 -158.78 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.541 ' C ' ' CG ' ' A' ' 16' ' ' TRP . 8.4 t -173.54 38.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 108.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CZ2' ' HA3' ' A' ' 7' ' ' GLY . 0.9 OUTLIER 73.61 -75.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.055 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 t 63.22 128.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 40.97 87.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -107.94 -43.47 4.43 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.42 1.075 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.615 ' O ' HG22 ' A' ' 23' ' ' THR . . . -58.37 -66.56 2.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -50.02 -33.98 19.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 0.729 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.7 67.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 20' ' ' GLY . 5.2 t -72.84 -38.15 67.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -50.78 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.6 146.08 19.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.016 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -36.72 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -35.2 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.422 ' HA3' HG22 ' A' ' 31' ' ' ILE . . . 95.58 110.67 2.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.095 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.9 -45.88 25.31 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -61.38 -51.91 66.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 32' ' ' SER . 8.2 tt -54.69 -54.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -42.42 -35.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.47 -40.31 33.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.427 1.079 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.0 t90 -61.05 -56.94 15.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.81 -39.76 86.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -57.9 -37.28 73.72 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.952 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.77 -51.35 20.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.8 mt -58.16 -50.55 73.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.92 67.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.21 60.12 3.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.733 . . . . 0.0 110.943 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.409 ' HG2' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER 60.93 143.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -175.28 -79.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.848 ' CD2' HG11 ' A' ' 8' ' ' VAL . 80.0 m-85 45.9 84.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 111.018 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 40.13 -96.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 4' ' ' TYR . 20.8 p-10 -154.79 126.25 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.773 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 112.66 63.37 0.46 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.499 1.125 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.848 HG11 ' CD2' ' A' ' 4' ' ' TYR . 5.0 t -162.28 -44.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.746 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' VAL . 56.4 m-85 -37.22 -62.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 m 58.84 106.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.185 . . . . 0.0 108.334 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -72.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -179.06 -52.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -97.51 -48.93 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' ' HE2' ' A' ' 13' ' ' LYS . 7.9 mtmm -60.93 -69.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t 66.64 123.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 108.34 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -130.68 160.68 33.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.026 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p -163.52 -44.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.628 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 63.4 t30 -103.54 91.27 3.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 4.6 mtp180 -107.88 -44.76 4.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -70.9 0.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 25' ' ' SER . 2.3 tp10 -57.03 -22.07 35.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 18' ' ' ASN . . . -65.17 -51.53 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -85.24 -43.59 13.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.371 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -52.62 -51.88 57.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 59.5 p -58.36 129.97 44.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.068 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.48 -40.59 88.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -35.51 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.11 95.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.99 -50.38 10.96 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG3' ' HB1' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -57.48 -51.79 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 110.96 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.57 -54.5 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.1 t -42.23 -35.5 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.06 -42.43 51.58 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.7 t90 -55.49 -50.98 68.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -66.41 -35.04 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -65.42 -34.22 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.02 -49.41 13.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.6 mt -55.82 -50.99 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 0.714 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.97 -25.29 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.12 62.06 2.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.3 OUTLIER -81.06 -76.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER 83.36 81.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -118.25 -57.09 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.71 -144.9 4.91 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.407 1.067 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 19' ' ' ARG . 2.5 t-20 -81.36 70.07 8.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.44 134.52 8.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.647 HG22 ' N ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -156.84 -84.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.647 ' N ' HG22 ' A' ' 8' ' ' VAL . 8.0 p90 -39.45 -41.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 66.6 m -155.37 145.53 21.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.351 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.68 ' ND2' HD21 ' A' ' 12' ' ' ASN . 61.6 t30 -57.7 -64.51 0.88 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.68 HD21 ' ND2' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -168.4 -64.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.65 -29.23 13.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -89.29 -151.9 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -169.96 124.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.329 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CH2' ' CG ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER -139.87 -168.3 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 108.03 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.12 120.26 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 t30 60.65 111.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -56.6 -28.0 59.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.77 -79.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.466 1.104 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -50.22 -34.72 23.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.594 0.82 . . . . 0.0 110.252 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.42 78.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -65.34 -43.05 92.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -49.8 -62.26 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 30' ' ' MET . 3.9 p -127.09 139.6 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.033 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 mt -69.91 -50.07 51.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.831 HD11 ' HG2' ' A' ' 30' ' ' MET . 4.7 pt -71.6 -36.15 58.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.737 ' O ' HG22 ' A' ' 31' ' ' ILE . . . 89.5 -26.38 9.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.0 -11.74 81.36 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.831 ' HG2' HD11 ' A' ' 27' ' ' ILE . 4.2 mmt -55.73 -35.83 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 28' ' ' GLY . 8.2 tt -54.42 -54.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -44.96 -44.2 9.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.9 -41.18 98.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -56.51 -55.13 37.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -61.46 -36.42 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -36.44 76.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.97 -45.9 24.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.577 1.173 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 35' ' ' ALA . 6.8 mt -60.87 -51.02 71.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.8 66.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.7 71.62 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.417 0.716 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -78.64 162.74 26.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER 164.61 -42.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 37.78 30.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 3' ' ' SER . . . 76.91 143.18 1.54 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.437 1.086 . . . . 0.0 111.093 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.473 ' CG ' ' CB ' ' A' ' 22' ' ' ALA . 3.2 t-20 73.42 -66.77 0.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 152.53 108.0 0.35 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -94.98 -41.22 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 0.716 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.569 ' CE2' ' HA2' ' A' ' 7' ' ' GLY . 1.1 p90 -36.58 -44.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 9' ' ' TYR . 37.9 t 58.26 162.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 9.7 t30 -104.88 -80.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 56.3 m-80 -166.8 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.48 -34.99 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 16' ' ' TRP . 10.6 mtmm -70.31 -56.79 5.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.44 26.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.383 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CD1' ' HD2' ' A' ' 19' ' ' ARG . 6.3 m-90 63.69 86.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.567 HG23 ' H ' ' A' ' 18' ' ' ASN . 7.1 m -40.42 -58.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.567 ' H ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -141.53 124.81 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 16' ' ' TRP . 3.3 mtp180 -108.03 -52.55 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 23' ' ' THR . . . -173.2 -131.78 1.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -13.63 60.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' CB ' ' CG ' ' A' ' 6' ' ' ASN . . . -56.75 -51.73 67.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.195 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 20' ' ' GLY . 5.7 t -73.14 -37.89 66.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -47.34 -56.92 5.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.302 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.9 p -106.57 130.01 54.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -69.81 -37.75 74.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -35.87 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' HA3' HG22 ' A' ' 31' ' ' ILE . . . 133.47 127.42 2.77 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.12 -49.84 11.85 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.36 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.736 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.38 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.0 t -42.83 -36.0 1.35 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.14 -40.48 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.79 -56.72 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.93 -38.06 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -36.44 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.84 -46.84 21.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.7 mt -60.66 -51.07 70.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -26.91 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.6 62.21 3.87 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.6 mtp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.455 0.738 . . . . 0.0 110.967 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 3' ' ' SER . 2.6 ttt180 -73.99 171.32 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.488 ' HA ' ' CE2' ' A' ' 9' ' ' TYR . 3.3 t 166.35 -72.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.413 ' HB2' HG21 ' A' ' 8' ' ' VAL . 99.2 m-85 39.07 38.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.86 -154.05 16.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -91.8 -35.76 13.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.349 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . -91.55 -131.46 5.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.413 HG21 ' HB2' ' A' ' 4' ' ' TYR . 18.9 t 70.13 -62.18 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 39.4 p90 -93.03 -44.21 8.52 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.556 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 78.3 m 47.87 -171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.408 ' CB ' ' HE2' ' A' ' 14' ' ' LYS . 1.4 t30 -105.82 -69.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.517 ' ND2' ' H ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -158.58 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.517 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -98.03 -28.69 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HE2' ' CB ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -81.58 -148.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' TRP . 0.8 OUTLIER 169.42 43.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.612 ' C ' HG23 ' A' ' 17' ' ' VAL . 1.3 m-90 50.64 -177.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.053 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG23 ' C ' ' A' ' 16' ' ' TRP . 2.1 t 73.74 16.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -173.96 44.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.626 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 69.5 mtm180 -85.86 -56.78 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.69 ' O ' HG22 ' A' ' 23' ' ' THR . . . -56.57 -56.72 23.13 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HB2' ' ND2' ' A' ' 18' ' ' ASN . 2.9 mm-40 -50.1 -31.27 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -59.65 -51.81 68.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 20' ' ' GLY . 10.4 t -71.85 -24.06 61.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -62.71 -53.62 51.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -50.88 136.41 22.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.941 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.9 mt -56.28 -43.71 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.229 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.52 -35.16 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.448 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 73.04 107.11 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.89 -48.73 15.47 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmm -60.95 -49.7 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 32' ' ' SER . 9.0 tt -54.44 -55.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -42.87 -36.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.64 -40.38 66.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.5 t90 -57.26 -51.28 69.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -64.31 -35.67 81.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -35.9 78.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.99 17.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.5 mt -56.61 -50.86 70.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.22 67.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.84 65.43 2.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.726 ' HD2' HG12 ' A' ' 8' ' ' VAL . 7.7 mtt180 -140.69 -173.83 3.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.2 OUTLIER 161.89 87.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.87 ' HB2' HG21 ' A' ' 8' ' ' VAL . 51.9 m-85 -138.85 72.98 1.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.64 -105.25 2.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.547 ' O ' ' CZ ' ' A' ' 9' ' ' TYR . 46.7 m-20 -128.83 -45.51 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . -85.04 -133.36 2.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.87 HG21 ' HB2' ' A' ' 4' ' ' TYR . 38.9 t 68.31 -68.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.626 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 39.2 p90 -84.34 -45.69 12.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.626 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 60.41 154.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 108.376 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.489 ' HB2' ' CZ3' ' A' ' 16' ' ' TRP . 1.1 t30 -72.49 -161.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -96.02 -70.77 0.7 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -36.81 59.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HE3' ' ND2' ' A' ' 11' ' ' ASN . 17.9 mtmt -75.45 -67.12 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.192 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 12.3 t 52.98 85.35 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 108.295 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.489 ' CZ3' ' HB2' ' A' ' 11' ' ' ASN . 39.9 p90 -104.03 171.63 7.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 108.01 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.1 -63.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.0 92.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -84.11 7.11 19.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.6 -70.28 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -28.65 19.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.1 -51.52 66.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 m -71.86 -46.0 59.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.404 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -41.51 -57.24 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.54 143.55 26.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -69.75 -40.54 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.9 pp -53.91 -33.97 24.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA2' ' CG2' ' A' ' 31' ' ' ILE . . . -37.94 -35.41 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.05 -48.01 16.96 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ILE . 2.1 mmt -64.13 -49.57 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 0.732 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.2 tt -54.59 -54.39 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -43.11 -37.19 1.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.027 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.68 -39.52 66.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.2 t90 -58.19 -53.85 53.64 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.482 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -61.43 -36.73 81.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 t -68.65 -34.11 75.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.933 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.86 -54.56 21.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.428 1.08 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 0.795 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.694 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -60.08 -32.96 71.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 73.95 0.51 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.56 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -41.44 142.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t 175.55 -78.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.614 ' HB2' HG21 ' A' ' 8' ' ' VAL . 91.4 m-85 55.88 106.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.13 -85.48 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 6' ' ' ASN . 11.8 p-10 -166.63 72.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.656 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 100.35 140.95 11.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 7' ' ' GLY . 2.2 t -159.86 -45.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.733 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 36.3 p90 -86.42 -45.73 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.596 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 43.4 t -179.94 162.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 16' ' ' TRP . 45.5 t30 -94.33 162.19 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.47 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -40.39 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.02 -49.1 4.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -67.14 -175.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.83 84.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.346 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -43.29 -53.24 5.33 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 18' ' ' ASN . 7.5 t 64.0 -80.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.557 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.7 OUTLIER -134.69 98.85 4.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 32.0 mtp180 -78.6 -44.79 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.07 -71.6 0.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' CG ' ' HB3' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -50.42 -39.06 46.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 0.741 . . . . 0.0 110.248 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -60.3 -48.56 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.36 -68.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.157 . . . . 0.0 110.45 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -43.74 -41.94 5.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.245 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.5 131.28 13.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 110.026 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -69.65 -42.28 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 tt -54.81 -32.47 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.75 110.79 3.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.63 -48.5 17.41 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.7 mmt -58.01 -50.51 73.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 111.045 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 32' ' ' SER . 9.1 tt -54.58 -55.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -43.05 -36.19 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.073 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.47 54.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.63 -57.8 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -58.37 -38.75 77.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -37.28 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.34 -49.68 24.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.2 mt -57.79 -51.01 71.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.74 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.374 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.07 59.12 3.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.369 1.043 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.0 mtt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.99 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' HG3' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -157.2 -171.76 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 9' ' ' TYR . 38.5 p -169.8 -48.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.749 ' CD1' HG11 ' A' ' 8' ' ' VAL . 93.5 m-85 37.71 88.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 44.69 -93.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' TYR . 26.6 m120 -154.0 128.43 9.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.415 0.715 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.813 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 103.83 64.63 0.69 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 7' ' ' GLY . 3.2 t -163.58 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.527 0.78 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 3' ' ' SER . 50.3 m-85 -36.79 -45.78 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 63.07 141.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 9.5 t30 -114.16 -86.62 0.59 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 15.3 m-80 -158.22 -85.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -45.74 -33.24 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -151.09 174.48 13.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -91.59 -76.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.22 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 166.81 65.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 107.978 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -49.15 -47.38 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.6 148.49 33.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -105.98 -56.45 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.44 -61.77 0.3 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.22 -39.52 44.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.269 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.27 -51.39 66.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 m -60.32 -52.48 65.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.38 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -42.38 -55.2 3.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -51.31 130.68 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.027 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.05 -39.06 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 pt -56.01 -35.29 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 59.42 93.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.97 -56.51 5.28 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.0 mmt -56.56 -51.81 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.58 -54.53 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.445 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -44.59 -36.02 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.046 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.13 -35.83 52.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.6 t90 -60.78 -58.16 9.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.18 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 m -62.1 -34.37 76.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.57 -55.01 12.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.697 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.4 pp -63.92 -48.82 75.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.697 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -66.66 -30.63 70.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' SER . . . -69.88 73.03 0.52 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 143.62 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -173.38 -44.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.626 ' CD2' HG21 ' A' ' 8' ' ' VAL . 59.1 m-85 49.15 -179.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.23 -68.65 1.33 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -179.08 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.35 46.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.471 1.107 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.711 HG12 ' N ' ' A' ' 9' ' ' TYR . 3.4 t -143.59 -84.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.711 ' N ' HG12 ' A' ' 8' ' ' VAL . 24.3 p90 -37.85 -45.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' N ' ' CD2' ' A' ' 9' ' ' TYR . 1.6 m 65.61 168.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' ND2' ' OD1' ' A' ' 12' ' ' ASN . 9.8 p-10 -74.68 -45.82 41.95 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' OD1' ' ND2' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -161.49 -86.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -94.47 -49.1 5.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -93.21 -145.42 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.608 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.38 -85.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 108.271 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.639 ' CE3' ' NH2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -177.49 -167.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.74 -55.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.12 119.55 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.639 ' NH2' ' CE3' ' A' ' 16' ' ' TRP . 9.4 ttm180 -97.61 -56.06 2.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 173.49 -50.39 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.19 -47.59 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -40.92 99.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -66.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.56 -29.06 6.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.15 130.02 21.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -68.66 -36.13 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.44 -35.76 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 48.11 98.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.99 -46.68 21.66 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mmt -60.74 -51.78 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 111.064 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 32' ' ' SER . 8.3 tt -54.64 -54.5 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.447 ' N ' HG23 ' A' ' 31' ' ' ILE . 18.7 t -43.29 -35.72 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -73.81 -39.04 48.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.2 t90 -59.61 -58.2 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -58.95 -39.19 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 t -66.12 -33.97 77.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -68.78 -55.92 10.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -55.69 -50.48 70.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.85 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -68.06 -29.29 68.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.9 66.0 3.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.455 ' O ' ' NE ' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 39.18 -160.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -177.18 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.664 ' HB2' HG21 ' A' ' 8' ' ' VAL . 28.7 m-85 40.52 86.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 49.49 -92.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' TYR . 2.5 t-20 -150.74 154.05 36.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.741 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 74.93 69.55 1.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 7' ' ' GLY . 3.5 t -161.17 -73.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CD2' ' N ' ' A' ' 10' ' ' CYS . 28.8 p90 -50.23 -45.95 54.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.172 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.525 ' N ' ' CD2' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 70.86 141.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 108.257 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 40.6 t30 -69.6 -66.11 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 48.1 m-80 -164.85 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -35.12 10.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -86.47 -160.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.2 120.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.3 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.4 p90 -112.4 164.03 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 108.088 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 p -171.31 -41.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -118.96 88.1 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 6.3 mtp180 -107.61 -55.38 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.78 -58.75 12.52 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.498 1.124 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -50.43 -39.2 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 110.331 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -55.29 -51.08 67.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -62.73 -45.03 94.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.358 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -48.03 -50.57 27.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.9 m -51.19 147.22 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.958 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tt -67.77 -44.91 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.3 -33.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 41.86 90.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.95 -56.23 5.43 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.9 mmm -57.48 -51.36 69.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.6 -54.46 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 43.4 t -42.06 -35.23 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.065 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.97 -41.42 32.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.9 t90 -59.96 -55.05 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -61.48 -38.36 86.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.69 -55.89 17.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -57.8 -39.02 76.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.585 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -65.44 -33.04 75.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.07 73.61 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.04 161.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -178.86 -47.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.07 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.659 ' HB2' HG21 ' A' ' 8' ' ' VAL . 61.4 m-85 37.65 78.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 37.91 43.06 1.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.09 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.9 m120 63.7 168.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.888 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 60.18 75.47 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 7' ' ' GLY . 2.1 t -169.63 -42.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -88.76 38.27 0.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.89 86.61 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.49 -173.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -89.61 -67.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -35.71 82.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 16' ' ' TRP . 23.8 mtmm -90.0 -96.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 14' ' ' LYS . 1.3 t 91.49 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.245 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 14' ' ' LYS . 31.7 m-90 66.36 85.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 108.034 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.498 HG13 ' OD1' ' A' ' 18' ' ' ASN . 7.4 p -56.58 -43.57 78.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.498 ' OD1' HG13 ' A' ' 17' ' ' VAL . 10.0 p30 -149.27 102.31 3.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' CD ' ' HB3' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -54.7 -57.0 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 110.339 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.56 -53.23 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -50.18 -49.09 53.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.31 -46.44 79.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.64 -64.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -55.74 -33.14 63.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.4 156.85 1.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.6 mt -66.24 -46.84 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.739 ' C ' HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -53.68 -31.69 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.408 ' N ' HD12 ' A' ' 27' ' ' ILE . . . -44.45 -34.74 3.66 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.98 -43.76 32.72 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.78 -50.94 64.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.3 tt -54.57 -54.48 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 3.8 t -42.77 -36.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.99 -40.42 57.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.69 -56.71 18.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.627 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.09 -37.91 78.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -36.11 75.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.27 -48.53 24.56 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.7 mt -58.16 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.55 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.15 65.86 1.91 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.966 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.536 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 78.6 mtt180 -118.84 160.78 21.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 4' ' ' TYR . 90.7 p -130.74 5.64 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 3' ' ' SER . 5.8 m-85 -37.09 -63.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.056 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -142.14 168.76 25.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.423 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 3.2 t30 -61.34 83.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.343 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' GLY . . . 106.51 96.53 2.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.639 HG22 ' N ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -142.36 -81.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.639 ' N ' HG22 ' A' ' 8' ' ' VAL . 6.0 p90 -37.19 -39.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HB3' ' CZ2' ' A' ' 16' ' ' TRP . 1.1 m -58.34 -170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.81 -85.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 167.26 -41.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' CE ' ' HE2' ' A' ' 14' ' ' LYS . 1.8 pttt -98.21 -38.79 9.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.614 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -115.67 -155.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 16' ' ' TRP . 5.3 t 83.67 14.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 108.257 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.614 ' CE3' ' O ' ' A' ' 14' ' ' LYS . 3.6 m-90 -156.75 44.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.038 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p 40.77 48.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.25 89.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -100.35 -18.23 16.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 23' ' ' THR . . . -69.14 -69.75 1.32 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -50.06 -27.67 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.25 53.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 20' ' ' GLY . 15.2 t -74.75 -38.4 62.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.417 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -54.64 -59.17 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.7 p -77.91 140.78 39.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 mt -68.13 -49.18 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.2 tt -51.1 -35.8 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' HA2' ' CG2' ' A' ' 31' ' ' ILE . . . -38.51 -35.93 0.37 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.53 -47.31 22.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ILE . 4.2 mmt -63.59 -50.18 70.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.3 tt -54.62 -54.44 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 31' ' ' ILE . 4.3 t -44.03 -36.78 2.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.9 -37.56 56.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.7 t90 -58.37 -52.69 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -64.68 -37.27 87.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -60.34 -36.59 78.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.36 -49.86 18.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 35' ' ' ALA . 6.2 mt -56.49 -50.96 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.81 66.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.04 66.91 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.497 ' HG2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 61.48 129.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.209 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -153.28 -45.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.54 ' HB2' HG21 ' A' ' 8' ' ' VAL . 35.7 m-85 53.09 172.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -40.61 -72.0 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -163.07 140.13 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 87.94 62.96 1.41 Allowed Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.629 HG12 ' N ' ' A' ' 9' ' ' TYR . 6.2 t -151.27 -83.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 0.791 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.629 ' N ' HG12 ' A' ' 8' ' ' VAL . 14.8 p90 -37.94 -46.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.456 ' N ' ' CD2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 54.05 176.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 108.279 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.522 ' HB2' ' CZ3' ' A' ' 16' ' ' TRP . 59.5 t30 -81.7 -56.53 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -165.08 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -93.08 -32.99 14.26 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -142.4 176.4 9.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.556 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 54.9 m -100.61 -99.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.75 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.8 OUTLIER 168.62 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 16' ' ' TRP . 6.2 p 50.68 178.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.675 ' H ' HG22 ' A' ' 17' ' ' VAL . 11.2 m120 -58.53 99.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.456 ' CD ' ' HB3' ' A' ' 15' ' ' CYS . 1.9 mtp85 -91.07 14.95 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.43 -64.9 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -50.43 -41.55 52.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 0.732 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.35 72.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -59.27 -40.0 84.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.457 ' HB3' HG21 ' A' ' 31' ' ' ILE . 39.8 mm-40 -64.43 -74.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 t -157.54 171.9 19.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG13 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -55.07 -43.25 69.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 30' ' ' MET . 0.5 OUTLIER -83.15 -36.52 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.96 -50.4 3.9 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.38 -42.75 33.33 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.642 ' HB2' HD13 ' A' ' 27' ' ' ILE . 7.0 mmt -55.95 -53.12 60.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.457 HG21 ' HB3' ' A' ' 24' ' ' GLN . 8.3 tt -54.83 -54.51 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 31' ' ' ILE . 55.4 m -43.28 -34.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.48 -40.6 54.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ILE . 12.4 t90 -58.59 -53.45 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -61.81 -37.26 83.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -37.01 74.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.02 12.01 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.446 1.092 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.3 mt -55.24 -50.73 68.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.34 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.87 64.47 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.43 0.724 . . . . 0.0 110.962 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -50.87 141.11 13.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 5' ' ' GLY . 8.0 t -174.36 -41.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.971 ' CD1' HG11 ' A' ' 8' ' ' VAL . 45.7 m-85 54.36 -86.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 3' ' ' SER . . . -137.63 -70.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -149.41 101.51 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.36 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.612 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 71.12 122.41 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.971 HG11 ' CD1' ' A' ' 4' ' ' TYR . 3.4 t -157.22 -66.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -51.37 -20.51 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER 71.79 144.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 12' ' ' ASN . 10.0 t-20 -67.49 -83.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.498 ' ND2' ' H ' ' A' ' 13' ' ' LYS . 0.7 OUTLIER 174.98 -48.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -97.98 -49.63 4.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 109.367 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -73.76 -48.17 33.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.389 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.623 ' SG ' HG23 ' A' ' 17' ' ' VAL . 4.5 t 41.68 82.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 108.329 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.48 ' HE1' ' N ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -43.08 -57.87 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 108.083 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.623 HG23 ' SG ' ' A' ' 15' ' ' CYS . 4.8 t 64.04 -81.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.599 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -135.6 89.26 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 5.6 ptm180 -108.06 -18.47 13.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.61 -54.17 25.8 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HA ' ' CG ' ' A' ' 24' ' ' GLN . 2.4 pp20? -55.27 -37.42 67.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -62.0 -50.53 71.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -57.47 -65.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' CG ' ' HA ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -50.45 -29.56 10.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 24.5 m -75.94 134.67 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.56 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -49.62 -40.91 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.389 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.618 ' O ' HG22 ' A' ' 31' ' ' ILE . 2.7 pt -54.62 -28.14 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 27' ' ' ILE . . . -37.76 -35.94 0.27 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.9 -53.04 7.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -50.96 70.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.3 tt -54.62 -54.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 31' ' ' ILE . 16.9 m -42.52 -36.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -71.83 -40.95 57.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' ILE . 10.8 t90 -58.68 -58.67 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' HA ' HD21 ' A' ' 38' ' ' LEU . . . -57.22 -38.25 73.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -69.07 -55.99 9.72 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.437 1.086 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.3 pp -55.45 -50.32 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.822 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -68.45 -28.9 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.55 67.76 2.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 154.68 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m 170.78 43.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.401 ' CD1' HG11 ' A' ' 8' ' ' VAL . 80.8 m-85 -77.76 98.84 5.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 111.069 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' ASN . . . 39.75 42.49 2.1 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 0.8 OUTLIER 46.18 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 150.84 62.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 7' ' ' GLY . 2.1 t -164.9 -43.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -88.13 40.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -56.51 -167.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -156.25 -69.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 14' ' ' LYS . 2.6 m-80 -109.24 -154.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -25.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -137.2 163.17 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 91.8 m -74.22 -105.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' VAL . 1.2 m-90 -103.84 -167.02 1.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG13 ' H ' ' A' ' 18' ' ' ASN . 2.6 p -37.61 -57.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.555 ' H ' HG13 ' A' ' 17' ' ' VAL . 34.6 p-10 -161.23 60.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.77 -18.14 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -134.1 0.1 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.429 1.081 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -50.11 -23.56 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 18' ' ' ASN . . . -54.68 -51.19 66.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -81.63 -55.56 4.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -41.65 -58.06 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.66 130.14 54.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.19 -37.86 78.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.1 tt -57.96 -35.92 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 31' ' ' ILE . . . 45.81 90.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.0 -57.71 4.71 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mmt -56.37 -51.01 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CG2' ' HA3' ' A' ' 28' ' ' GLY . 8.3 tt -54.53 -54.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' ILE . 1.6 m -42.67 -36.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.85 60.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.3 t90 -57.82 -53.72 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.46 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.39 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -36.28 75.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.86 -49.44 13.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.17 -50.93 69.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.35 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 60.34 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -89.2 157.21 18.34 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.9 OUTLIER 164.16 43.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.013 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -77.28 121.69 24.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.27 -113.49 5.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -58.49 4.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 8' ' ' VAL . . . -163.64 -54.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER 80.13 -52.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.763 . . . . 0.0 109.203 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 10' ' ' CYS . 44.5 p90 -56.42 -44.05 80.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.643 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 176.13 -167.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.271 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 16' ' ' TRP . 42.3 t30 -117.46 -69.05 0.87 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.58 -65.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.86 -35.71 10.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.56 -176.56 3.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 77.0 m -111.3 -99.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.34 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -179.51 -169.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -131.98 -62.24 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.39 107.7 1.8 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.574 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 2.5 ttp180 -67.53 -33.3 74.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -41.94 -67.48 0.84 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -31.4 66.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -60.26 -51.97 67.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.01 -67.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -48.12 -34.42 9.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.493 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -50.08 158.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -64.34 -38.9 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.1 tt -54.41 -24.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.44 -37.91 1.9 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.35 -47.91 15.76 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -52.03 67.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 27' ' ' ILE . 8.2 tt -54.45 -54.44 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -41.03 -35.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.67 -43.51 35.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ILE . 9.8 t90 -58.98 -56.64 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -59.04 -37.95 78.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.1 t -59.27 -37.25 77.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.01 -49.16 29.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.6 mt -59.35 -51.03 71.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.587 0.816 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.75 -27.05 68.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.5 59.03 4.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 stop_ save_